ethyl 1-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]-4-(phenylmethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]-4-(phenylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-benzyl-1-[(4-hydroxy-3,5-dimethoxy-phenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-(phenylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzyl-1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 4-benzyl-1-(4-hydroxy-3,5-dimethoxy-benzyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C24H32NO5+ MolecularWeight: 414.51458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CC(=C(C(=C2)OC)O)OC)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC(=C(C(=C2)OC)O)OC)CC3=CC=CC=C3

InChI

InChI=1S/C24H31NO5/c1-4-30-23(27)24(16-18-8-6-5-7-9-18)10-12-25(13-11-24)17-19-14-20(28-2)22(26)21(15-19)29-3/h5-9,14-15,26H,4,10-13,16-17H2,1-3H3/p+1