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

Systemtic Name: ethyl 1-[(3-methoxy-4-oxidanyl-phenyl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(4-hydroxy-3-methoxy-phenyl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate CAS Name: 1-[(4-hydroxy-3-methoxyphenyl)methyl]-4-(2-phenoxyethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-hydroxy-3-methoxyphenyl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate Traditional Name: 4-(2-phenoxyethyl)-1-vanillyl-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)O)OC)CCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC(=C(C=C2)O)OC)CCOC3=CC=CC=C3

InChI

InChI=1S/C24H31NO5/c1-3-29-23(27)24(13-16-30-20-7-5-4-6-8-20)11-14-25(15-12-24)18-19-9-10-21(26)22(17-19)28-2/h4-10,17,26H,3,11-16,18H2,1-2H3/p+1