N-methyl-4-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-nitro-benzenesulfonamide

Systemtic Name: N-methyl-4-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-nitro-benzenesulfonamide Openeye Name: N-methyl-3-nitro-4-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]benzenesulfonamide CAS Name: N-methyl-4-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-3-nitrobenzenesulfonamide IUPAC Name: N-methyl-4-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-nitrobenzenesulfonamide Traditional Name: N-methyl-4-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]-3-nitro-benzenesulfonamide Formula: C19H25N4O4S+ MolecularWeight: 405.4912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)NC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)NC)[N+](=O)[O-]

InChI

InChI=1S/C19H24N4O4S/c1-15-5-3-4-6-16(15)14-21-9-11-22(12-10-21)18-8-7-17(28(26,27)20-2)13-19(18)23(24)25/h3-8,13,20H,9-12,14H2,1-2H3/p+1