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89037-66-1 | Phenothiazin-5-ium, 3-(4-methyl-1-piperazinyl)-, bromide
CAS No: 89037-66-1 Catalog No: AG00424E MDL No:
Product Description
Catalog Number:
AG00424E
Chemical Name:
Phenothiazin-5-ium, 3-(4-methyl-1-piperazinyl)-, bromide
CAS Number:
89037-66-1
Molecular Formula:
C17H18BrN3S
Molecular Weight:
376.3139
IUPAC Name:
3-(4-methylpiperazin-1-ium-1-ylidene)phenothiazine;bromide
InChI:
InChI=1S/C17H18N3S.BrH/c1-19-8-10-20(11-9-19)13-6-7-15-17(12-13)21-16-5-3-2-4-14(16)18-15;/h2-7,12H,8-11H2,1H3;1H/q+1;/p-1
InChI Key:
MHNRBPCBYWHKHQ-UHFFFAOYSA-M
SMILES:
CN1CCN(CC1)c1ccc2c(c1)[s+]c1c(n2)cccc1.[Br-]
Properties
Complexity:
548
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.04g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
376.316g/mol
Monoisotopic Mass:
375.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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