1-methyl-4-[2-(4-methylpiperidin-1-yl)-5-nitro-phenyl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-methyl-4-[2-(4-methylpiperidin-1-yl)-5-nitro-phenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-methyl-4-[2-(4-methyl-1-piperidyl)-5-nitro-phenyl]sulfonyl-piperazin-1-ium CAS Name: 1-methyl-4-[2-(4-methyl-1-piperidinyl)-5-nitrophenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-methyl-4-[2-(4-methylpiperidin-1-yl)-5-nitrophenyl]sulfonylpiperazin-1-ium Traditional Name: 1-methyl-4-[2-(4-methylpiperidino)-5-nitro-phenyl]sulfonyl-piperazin-1-ium Formula: C17H27N4O4S+ MolecularWeight: 383.48568

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C17H26N4O4S/c1-14-5-7-19(8-6-14)16-4-3-15(21(22)23)13-17(16)26(24,25)20-11-9-18(2)10-12-20/h3-4,13-14H,5-12H2,1-2H3/p+1