[(1S)-2-[[1-(4-chlorophenyl)carbonylpiperidin-4-yl]carbonylamino]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[[1-(4-chlorophenyl)carbonylpiperidin-4-yl]carbonylamino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[1-(4-chlorobenzoyl)piperidine-4-carbonyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[[1-[(4-chlorophenyl)-oxomethyl]-4-piperidinyl]-oxomethyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[1-(4-chlorobenzoyl)piperidine-4-carbonyl]amino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[[1-(4-chlorobenzoyl)isonipecotoyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C23H29ClN3O2+ MolecularWeight: 414.94826

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C23H28ClN3O2/c1-26(2)21(17-6-4-3-5-7-17)16-25-22(28)18-12-14-27(15-13-18)23(29)19-8-10-20(24)11-9-19/h3-11,18,21H,12-16H2,1-2H3,(H,25,28)/p+1/t21-/m1/s1