dimethyl-[[2-[[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]methyl]phenyl]methyl]azanium

Systemtic Name: dimethyl-[[2-[[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]methyl]phenyl]methyl]azanium Openeye Name: dimethyl-[[2-[[[1-(p-tolylsulfonyl)piperidine-4-carbonyl]amino]methyl]phenyl]methyl]ammonium CAS Name: dimethyl-[[2-[[[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: dimethyl-[[2-[[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]methyl]phenyl]methyl]azanium Traditional Name: dimethyl-[2-[[(1-tosylisonipecotoyl)amino]methyl]benzyl]ammonium Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3C[NH+](C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3C[NH+](C)C

InChI

InChI=1S/C23H31N3O3S/c1-18-8-10-22(11-9-18)30(28,29)26-14-12-19(13-15-26)23(27)24-16-20-6-4-5-7-21(20)17-25(2)3/h4-11,19H,12-17H2,1-3H3,(H,24,27)/p+1