(phenylmethyl) 2-[(2S)-2-[(3,4-dimethoxyphenyl)carbamoyl]piperidin-1-ium-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[(2S)-2-[(3,4-dimethoxyphenyl)carbamoyl]piperidin-1-ium-1-yl]ethanoate Openeye Name: benzyl 2-[(2S)-2-[(3,4-dimethoxyphenyl)carbamoyl]piperidin-1-ium-1-yl]acetate CAS Name: 2-[(2S)-2-[(3,4-dimethoxyanilino)-oxomethyl]-1-piperidin-1-iumyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(2S)-2-[(3,4-dimethoxyphenyl)carbamoyl]piperidin-1-ium-1-yl]acetate Traditional Name: 2-[(2S)-2-[(3,4-dimethoxyphenyl)carbamoyl]piperidin-1-ium-1-yl]acetic acid benzyl ester Formula: C23H29N2O5+ MolecularWeight: 413.48676

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2CCCC[NH+]2CC(=O)OCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)[C@@H]2CCCC[NH+]2CC(=O)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C23H28N2O5/c1-28-20-12-11-18(14-21(20)29-2)24-23(27)19-10-6-7-13-25(19)15-22(26)30-16-17-8-4-3-5-9-17/h3-5,8-9,11-12,14,19H,6-7,10,13,15-16H2,1-2H3,(H,24,27)/p+1/t19-/m0/s1