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

Systemtic Name: ethyl 1-[(3-methoxy-2-oxidanyl-phenyl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(2-hydroxy-3-methoxy-phenyl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate CAS Name: 1-[(2-hydroxy-3-methoxyphenyl)methyl]-4-(2-phenoxyethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2-hydroxy-3-methoxyphenyl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-(2-hydroxy-3-methoxy-benzyl)-4-(2-phenoxyethyl)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=C(C(=CC=C2)OC)O)CCOC3=CC=CC=C3

Isomeric SMILES

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

InChI

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