dimethyl-[1-[[[3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]carbonylamino]methyl]cyclohexyl]azanium

Systemtic Name: dimethyl-[1-[[[3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]carbonylamino]methyl]cyclohexyl]azanium Openeye Name: dimethyl-[1-[[[3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoyl]amino]methyl]cyclohexyl]ammonium CAS Name: dimethyl-[1-[[[[3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-oxomethyl]amino]methyl]cyclohexyl]ammonium IUPAC Name: dimethyl-[1-[[[3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoyl]amino]methyl]cyclohexyl]azanium Traditional Name: dimethyl-[1-[[[3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoyl]amino]methyl]cyclohexyl]ammonium Formula: C21H36N4O3S+2 MolecularWeight: 424.60054

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3(CCCCC3)[NH+](C)C

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3(CCCCC3)[NH+](C)C

InChI

InChI=1S/C21H34N4O3S/c1-23(2)21(10-5-4-6-11-21)17-22-20(26)18-8-7-9-19(16-18)29(27,28)25-14-12-24(3)13-15-25/h7-9,16H,4-6,10-15,17H2,1-3H3,(H,22,26)/p+2