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

Systemtic Name: ethyl 1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate CAS Name: 1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-4-(2-phenoxyethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-[4-methoxy-3-(methoxymethyl)benzyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C26H36NO5+ MolecularWeight: 442.56774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35NO5/c1-4-31-25(28)26(14-17-32-23-8-6-5-7-9-23)12-15-27(16-13-26)19-21-10-11-24(30-3)22(18-21)20-29-2/h5-11,18H,4,12-17,19-20H2,1-3H3/p+1