1-methyl-4-[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-methyl-4-[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-methyl-4-[4-(4-methyl-1-piperidyl)-3-nitro-phenyl]sulfonyl-piperazin-1-ium CAS Name: 1-methyl-4-[4-(4-methyl-1-piperidinyl)-3-nitrophenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-methyl-4-[4-(4-methylpiperidin-1-yl)-3-nitrophenyl]sulfonylpiperazin-1-ium Traditional Name: 1-methyl-4-[4-(4-methylpiperidino)-3-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)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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