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

Systemtic Name: N-hexyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-hexyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-hexyl-4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitroaniline IUPAC Name: N-hexyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitroaniline Traditional Name: hexyl-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]amine Formula: C17H29N4O4S+ MolecularWeight: 385.50156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCCNC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C)[N+](=O)[O-]

InChI

InChI=1S/C17H28N4O4S/c1-3-4-5-6-9-18-16-8-7-15(14-17(16)21(22)23)26(24,25)20-12-10-19(2)11-13-20/h7-8,14,18H,3-6,9-13H2,1-2H3/p+1