1-methyl-4-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]piperazin-1-ium

Systemtic Name: 1-methyl-4-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]piperazin-1-ium Openeye Name: 1-methyl-4-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]piperazin-1-ium CAS Name: 1-methyl-4-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitrophenyl]piperazin-1-ium IUPAC Name: 1-methyl-4-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitrophenyl]piperazin-1-ium Traditional Name: 1-methyl-4-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]piperazin-1-ium Formula: C16H27N5O4S+2 MolecularWeight: 385.48168

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C16H25N5O4S/c1-17-5-9-19(10-6-17)15-4-3-14(13-16(15)21(22)23)26(24,25)20-11-7-18(2)8-12-20/h3-4,13H,5-12H2,1-2H3/p+2