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

Systemtic Name: diethyl-[[4-[[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]methyl]phenyl]methyl]azanium Openeye Name: diethyl-[[4-[[[1-(p-tolylsulfonyl)piperidine-4-carbonyl]amino]methyl]phenyl]methyl]ammonium CAS Name: diethyl-[[4-[[[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: diethyl-[[4-[[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]methyl]phenyl]methyl]azanium Traditional Name: diethyl-[4-[[(1-tosylisonipecotoyl)amino]methyl]benzyl]ammonium Formula: C25H36N3O3S+ MolecularWeight: 458.63664

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C25H35N3O3S/c1-4-27(5-2)19-22-10-8-21(9-11-22)18-26-25(29)23-14-16-28(17-15-23)32(30,31)24-12-6-20(3)7-13-24/h6-13,23H,4-5,14-19H2,1-3H3,(H,26,29)/p+1