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

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

CCCCCNC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCNC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C)[N+](=O)[O-]

InChI

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