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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

InChI

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