2-methyl-N-[3-(2-nitroimidazol-2-yl)propyl]quinolin-4-amine hydrochloride

Systemtic Name: 2-methyl-N-[3-(2-nitroimidazol-2-yl)propyl]quinolin-4-amine hydrochloride Openeye Name: 2-methyl-N-[3-(2-nitroimidazol-2-yl)propyl]quinolin-4-amine hydrochloride CAS Name: 2-methyl-N-[3-(2-nitro-2-imidazolyl)propyl]-4-quinolinamine hydrochloride IUPAC Name: 2-methyl-N-[3-(2-nitroimidazol-2-yl)propyl]quinolin-4-amine hydrochloride Traditional Name: (2-methyl-4-quinolyl)-[3-(2-nitroimidazol-2-yl)propyl]amine hydrochloride Formula: C16H18ClN5O2 MolecularWeight: 347.79942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NCCCC3(N=CC=N3)[N+](=O)[O-].Cl

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NCCCC3(N=CC=N3)[N+](=O)[O-].Cl

InChI

InChI=1S/C16H17N5O2.ClH/c1-12-11-15(13-5-2-3-6-14(13)20-12)17-8-4-7-16(21(22)23)18-9-10-19-16;/h2-3,5-6,9-11H,4,7-8H2,1H3,(H,17,20);1H