N-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-N-(phenylmethyl)aniline

Systemtic Name: N-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-N-(phenylmethyl)aniline Openeye Name: N-benzyl-N-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-methyl-4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitro-N-(phenylmethyl)aniline IUPAC Name: N-benzyl-N-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitroaniline Traditional Name: benzyl-methyl-[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:

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

Isomeric SMILES

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

InChI

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