ethyl (2S)-1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: ethyl (2S)-1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidin-1-ium-2-carboxylate Openeye Name: ethyl (2S)-1-[(4-benzyloxy-3-methoxy-phenyl)methyl]piperidin-1-ium-2-carboxylate CAS Name: (2S)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (2S)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2S)-1-(4-benzoxy-3-methoxy-benzyl)piperidin-1-ium-2-carboxylic acid ethyl ester Formula: C23H30NO4+ MolecularWeight: 384.4886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCC[NH+]1CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

Isomeric SMILES

CCOC(=O)[C@@H]1CCCC[NH+]1CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C23H29NO4/c1-3-27-23(25)20-11-7-8-14-24(20)16-19-12-13-21(22(15-19)26-2)28-17-18-9-5-4-6-10-18/h4-6,9-10,12-13,15,20H,3,7-8,11,14,16-17H2,1-2H3/p+1/t20-/m0/s1