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

Systemtic Name: methyl (2S)-2-[[1-[(2-chlorophenyl)methyl]piperidin-1-ium-4-yl]carbonylamino]-2-phenyl-ethanoate Openeye Name: methyl (2S)-2-[[1-[(2-chlorophenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-2-phenyl-acetate CAS Name: (2S)-2-[[[1-[(2-chlorophenyl)methyl]-4-piperidin-1-iumyl]-oxomethyl]amino]-2-phenylacetic acid methyl ester IUPAC Name: methyl (2S)-2-[[1-[(2-chlorophenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-2-phenylacetate Traditional Name: (2S)-2-[[1-(2-chlorobenzyl)piperidin-1-ium-4-carbonyl]amino]-2-phenyl-acetic acid methyl ester Formula: C22H26ClN2O3+ MolecularWeight: 401.90644

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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=C3Cl

Isomeric SMILES

COC(=O)[C@H](C1=CC=CC=C1)NC(=O)C2CC[NH+](CC2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C22H25ClN2O3/c1-28-22(27)20(16-7-3-2-4-8-16)24-21(26)17-11-13-25(14-12-17)15-18-9-5-6-10-19(18)23/h2-10,17,20H,11-15H2,1H3,(H,24,26)/p+1/t20-/m0/s1