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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

InChI

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