N-methyl-4-[[2-methyl-2-(4-methylpiperazin-1-ium-1-yl)propyl]amino]-3-nitro-benzenesulfonamide

Systemtic Name: N-methyl-4-[[2-methyl-2-(4-methylpiperazin-1-ium-1-yl)propyl]amino]-3-nitro-benzenesulfonamide Openeye Name: N-methyl-4-[[2-methyl-2-(4-methylpiperazin-1-ium-1-yl)propyl]amino]-3-nitro-benzenesulfonamide CAS Name: N-methyl-4-[[2-methyl-2-(4-methyl-1-piperazin-1-iumyl)propyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: N-methyl-4-[[2-methyl-2-(4-methylpiperazin-1-ium-1-yl)propyl]amino]-3-nitrobenzenesulfonamide Traditional Name: N-methyl-4-[[2-methyl-2-(4-methylpiperazin-1-ium-1-yl)propyl]amino]-3-nitro-benzenesulfonamide Formula: C16H28N5O4S+ MolecularWeight: 386.48962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC1=C(C=C(C=C1)S(=O)(=O)NC)[N+](=O)[O-])[NH+]2CCN(CC2)C

Isomeric SMILES

CC(C)(CNC1=C(C=C(C=C1)S(=O)(=O)NC)[N+](=O)[O-])[NH+]2CCN(CC2)C

InChI

InChI=1S/C16H27N5O4S/c1-16(2,20-9-7-19(4)8-10-20)12-18-14-6-5-13(26(24,25)17-3)11-15(14)21(22)23/h5-6,11,17-18H,7-10,12H2,1-4H3/p+1