2-methyl-4-[4-(3-methyl-5-nitro-imidazol-4-yl)piperazin-1-yl]quinolin-1-ium

Systemtic Name: 2-methyl-4-[4-(3-methyl-5-nitro-imidazol-4-yl)piperazin-1-yl]quinolin-1-ium Openeye Name: 2-methyl-4-[4-(3-methyl-5-nitro-imidazol-4-yl)piperazin-1-yl]quinolin-1-ium CAS Name: 2-methyl-4-[4-(3-methyl-5-nitro-4-imidazolyl)-1-piperazinyl]quinolin-1-ium IUPAC Name: 2-methyl-4-[4-(3-methyl-5-nitroimidazol-4-yl)piperazin-1-yl]quinolin-1-ium Traditional Name: 2-methyl-4-[4-(3-methyl-5-nitro-imidazol-4-yl)piperazino]quinolin-1-ium Formula: C18H21N6O2+ MolecularWeight: 353.39834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C2=CC=CC=C2C(=C1)N3CCN(CC3)C4=C(N=CN4C)[N+](=O)[O-]

Isomeric SMILES

CC1=[NH+]C2=CC=CC=C2C(=C1)N3CCN(CC3)C4=C(N=CN4C)[N+](=O)[O-]

InChI

InChI=1S/C18H20N6O2/c1-13-11-16(14-5-3-4-6-15(14)20-13)22-7-9-23(10-8-22)18-17(24(25)26)19-12-21(18)2/h3-6,11-12H,7-10H2,1-2H3/p+1