N-(3,5-dimethoxyphenyl)-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline

Systemtic Name: N-(3,5-dimethoxyphenyl)-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-(3,5-dimethoxyphenyl)-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-(3,5-dimethoxyphenyl)-4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitroaniline IUPAC Name: N-(3,5-dimethoxyphenyl)-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitroaniline Traditional Name: (3,5-dimethoxyphenyl)-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]amine Formula: C19H25N4O6S+ MolecularWeight: 437.49

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC3=CC(=CC(=C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC3=CC(=CC(=C3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H24N4O6S/c1-21-6-8-22(9-7-21)30(26,27)17-4-5-18(19(13-17)23(24)25)20-14-10-15(28-2)12-16(11-14)29-3/h4-5,10-13,20H,6-9H2,1-3H3/p+1