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106652-26-0 | Piperazinium, 4-(6-acetyl-2-naphthalenyl)-1,1-dimethyl-, iodide
CAS No: 106652-26-0 Catalog No: AG0083GJ MDL No:
Product Description
Catalog Number:
AG0083GJ
Chemical Name:
Piperazinium, 4-(6-acetyl-2-naphthalenyl)-1,1-dimethyl-, iodide
CAS Number:
106652-26-0
Molecular Formula:
C18H23IN2O
Molecular Weight:
410.2925
IUPAC Name:
1-[6-(4,4-dimethylpiperazin-4-ium-1-yl)naphthalen-2-yl]ethanone;iodide
InChI:
InChI=1S/C18H23N2O.HI/c1-14(21)15-4-5-17-13-18(7-6-16(17)12-15)19-8-10-20(2,3)11-9-19;/h4-7,12-13H,8-11H2,1-3H3;1H/q+1;/p-1
InChI Key:
RCUKWYYXGJMTBU-UHFFFAOYSA-M
SMILES:
CC(=O)c1ccc2c(c1)ccc(c2)N1CC[N+](CC1)(C)C.[I-]
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.086g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
410.299g/mol
Monoisotopic Mass:
410.086g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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