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

Systemtic Name: N-butyl-N-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-butyl-N-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-butyl-N-methyl-4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitroaniline IUPAC Name: N-butyl-N-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitroaniline Traditional Name: butyl-methyl-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]amine Formula: C16H27N4O4S+ MolecularWeight: 371.47498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C)[N+](=O)[O-]

Isomeric SMILES

CCCCN(C)C1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C)[N+](=O)[O-]

InChI

InChI=1S/C16H26N4O4S/c1-4-5-8-18(3)15-7-6-14(13-16(15)20(21)22)25(23,24)19-11-9-17(2)10-12-19/h6-7,13H,4-5,8-12H2,1-3H3/p+1