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

Systemtic Name: N,N-diethyl-4-[[2-methyl-2-(4-methylpiperazin-1-ium-1-yl)propyl]amino]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[[2-methyl-2-(4-methylpiperazin-1-ium-1-yl)propyl]amino]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[[2-methyl-2-(4-methyl-1-piperazin-1-iumyl)propyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[[2-methyl-2-(4-methylpiperazin-1-ium-1-yl)propyl]amino]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[[2-methyl-2-(4-methylpiperazin-1-ium-1-yl)propyl]amino]-3-nitro-benzenesulfonamide Formula: C19H34N5O4S+ MolecularWeight: 428.56936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H33N5O4S/c1-6-23(7-2)29(27,28)16-8-9-17(18(14-16)24(25)26)20-15-19(3,4)22-12-10-21(5)11-13-22/h8-9,14,20H,6-7,10-13,15H2,1-5H3/p+1