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Home > Indoles and Oxindole > 317822-52-9
317822-52-9 | 1-(4-nitrophenyl)-2',3',4',9'-tetrahydrospiro[piperidine-4,1'-pyrido[3,4-b]indole] hydrochloride
CAS No: 317822-52-9 Catalog No: AG00IO9D MDL No:MFCD00244759
Product Description
Catalog Number:
AG00IO9D
Chemical Name:
1-(4-nitrophenyl)-2',3',4',9'-tetrahydrospiro[piperidine-4,1'-pyrido[3,4-b]indole] hydrochloride
CAS Number:
317822-52-9
Molecular Formula:
C21H23ClN4O2
Molecular Weight:
398.8859
MDL Number:
MFCD00244759
IUPAC Name:
1'-(4-nitrophenyl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indol-2-ium-1,4'-piperidine];chloride
InChI:
InChI=1S/C21H22N4O2.ClH/c26-25(27)16-7-5-15(6-8-16)24-13-10-21(11-14-24)20-18(9-12-22-21)17-3-1-2-4-19(17)23-20;/h1-8,22-23H,9-14H2;1H
InChI Key:
ZSGTUZWBSKKPNK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)N1CCC2(CC1)[NH2+]CCc1c2[nH]c2c1cccc2.[Cl-]
Properties
Complexity:
549
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.151g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
398.891g/mol
Monoisotopic Mass:
398.151g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
81.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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