4-methyl-7-methylsulfanyl-2-[4-(4-nitrophenyl)piperazin-1-yl]quinolin-1-ium

Systemtic Name: 4-methyl-7-methylsulfanyl-2-[4-(4-nitrophenyl)piperazin-1-yl]quinolin-1-ium Openeye Name: 4-methyl-7-methylsulfanyl-2-[4-(4-nitrophenyl)piperazin-1-yl]quinolin-1-ium CAS Name: 4-methyl-7-(methylthio)-2-[4-(4-nitrophenyl)-1-piperazinyl]quinolin-1-ium IUPAC Name: 4-methyl-7-methylsulfanyl-2-[4-(4-nitrophenyl)piperazin-1-yl]quinolin-1-ium Traditional Name: 4-methyl-7-(methylthio)-2-[4-(4-nitrophenyl)piperazino]quinolin-1-ium Formula: C21H23N4O2S+ MolecularWeight: 395.49792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=C1C=CC(=C2)SC)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=[NH+]C2=C1C=CC(=C2)SC)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O2S/c1-15-13-21(22-20-14-18(28-2)7-8-19(15)20)24-11-9-23(10-12-24)16-3-5-17(6-4-16)25(26)27/h3-8,13-14H,9-12H2,1-2H3/p+1