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

Systemtic Name: 2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]quinolin-1-ium Openeye Name: 2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]quinolin-1-ium CAS Name: 2-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]quinolin-1-ium IUPAC Name: 2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]quinolin-1-ium Traditional Name: 2-[4-(3-nitrophenyl)sulfonylpiperazino]quinolin-1-ium Formula: C19H19N4O4S+ MolecularWeight: 399.44356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O4S/c24-23(25)16-5-3-6-17(14-16)28(26,27)22-12-10-21(11-13-22)19-9-8-15-4-1-2-7-18(15)20-19/h1-9,14H,10-13H2/p+1