2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-4-phenyl-quinolin-1-ium

Systemtic Name: 2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-4-phenyl-quinolin-1-ium Openeye Name: 2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-4-phenyl-quinolin-1-ium CAS Name: 2-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-4-phenylquinolin-1-ium IUPAC Name: 2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-4-phenylquinolin-1-ium Traditional Name: 2-[4-(3-nitrophenyl)sulfonylpiperazino]-4-phenyl-quinolin-1-ium Formula: C25H23N4O4S+ MolecularWeight: 475.53952

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C3=CC=CC=C3C(=C2)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=[NH+]C3=CC=CC=C3C(=C2)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H22N4O4S/c30-29(31)20-9-6-10-21(17-20)34(32,33)28-15-13-27(14-16-28)25-18-23(19-7-2-1-3-8-19)22-11-4-5-12-24(22)26-25/h1-12,17-18H,13-16H2/p+1