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

Systemtic Name: dimethyl-[(1S)-2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]-1-phenyl-ethyl]azanium Openeye Name: dimethyl-[(1S)-1-phenyl-2-[[1-(p-tolylsulfonyl)piperidine-4-carbonyl]amino]ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]-1-phenylethyl]azanium Traditional Name: dimethyl-[(1S)-1-phenyl-2-[(1-tosylisonipecotoyl)amino]ethyl]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)NCC(C3=CC=CC=C3)[NH+](C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC[C@H](C3=CC=CC=C3)[NH+](C)C

InChI

InChI=1S/C23H31N3O3S/c1-18-9-11-21(12-10-18)30(28,29)26-15-13-20(14-16-26)23(27)24-17-22(25(2)3)19-7-5-4-6-8-19/h4-12,20,22H,13-17H2,1-3H3,(H,24,27)/p+1/t22-/m1/s1