methyl (2S)-2-[[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-yl]carbonylamino]-2-phenyl-ethanoate

Systemtic Name: methyl (2S)-2-[[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-yl]carbonylamino]-2-phenyl-ethanoate Openeye Name: methyl (2S)-2-[[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-2-phenyl-acetate CAS Name: (2S)-2-[[[1-[(3-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-oxomethyl]amino]-2-phenylacetic acid methyl ester IUPAC Name: methyl (2S)-2-[[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-2-phenylacetate Traditional Name: (2S)-2-[(1-m-anisylpiperidin-1-ium-4-carbonyl)amino]-2-phenyl-acetic acid methyl ester Formula: C23H29N2O4+ MolecularWeight: 397.48736

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCC(CC2)C(=O)NC(C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCC(CC2)C(=O)N[C@@H](C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C23H28N2O4/c1-28-20-10-6-7-17(15-20)16-25-13-11-19(12-14-25)22(26)24-21(23(27)29-2)18-8-4-3-5-9-18/h3-10,15,19,21H,11-14,16H2,1-2H3,(H,24,26)/p+1/t21-/m0/s1