methyl (2S)-2-phenyl-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]carbonylamino]ethanoate

Systemtic Name: methyl (2S)-2-phenyl-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]carbonylamino]ethanoate Openeye Name: methyl (2S)-2-[(1-benzylpiperidin-1-ium-4-carbonyl)amino]-2-phenyl-acetate CAS Name: (2S)-2-[[oxo-[1-(phenylmethyl)-4-piperidin-1-iumyl]methyl]amino]-2-phenylacetic acid methyl ester IUPAC Name: methyl (2S)-2-[(1-benzylpiperidin-1-ium-4-carbonyl)amino]-2-phenylacetate Traditional Name: (2S)-2-[(1-benzylpiperidin-1-ium-4-carbonyl)amino]-2-phenyl-acetic acid methyl ester Formula: C22H27N2O3+ MolecularWeight: 367.46138

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)NC(=O)C2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H](C1=CC=CC=C1)NC(=O)C2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O3/c1-27-22(26)20(18-10-6-3-7-11-18)23-21(25)19-12-14-24(15-13-19)16-17-8-4-2-5-9-17/h2-11,19-20H,12-16H2,1H3,(H,23,25)/p+1/t20-/m0/s1