2,3-dimethyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]aniline

Systemtic Name: 2,3-dimethyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]aniline Openeye Name: 2,3-dimethyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]aniline CAS Name: 2,3-dimethyl-N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitrophenyl]aniline IUPAC Name: 2,3-dimethyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitrophenyl]aniline Traditional Name: (2,3-dimethylphenyl)-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]amine Formula: C19H25N4O4S+ MolecularWeight: 405.4912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-])C

InChI

InChI=1S/C19H24N4O4S/c1-14-5-4-6-17(15(14)2)20-18-8-7-16(13-19(18)23(24)25)28(26,27)22-11-9-21(3)10-12-22/h4-8,13,20H,9-12H2,1-3H3/p+1