N-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-N-(thiophen-3-ylmethyl)aniline

Systemtic Name: N-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-N-(thiophen-3-ylmethyl)aniline Openeye Name: N-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-N-(3-thienylmethyl)aniline CAS Name: N-methyl-4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitro-N-(3-thiophenylmethyl)aniline IUPAC Name: N-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-N-(thiophen-3-ylmethyl)aniline Traditional Name: methyl-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]-(3-thenyl)amine Formula: C17H23N4O4S2+ MolecularWeight: 411.51892

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CC3=CSC=C3)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CC3=CSC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O4S2/c1-18-6-8-20(9-7-18)27(24,25)15-3-4-16(17(11-15)21(22)23)19(2)12-14-5-10-26-13-14/h3-5,10-11,13H,6-9,12H2,1-2H3/p+1