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

Systemtic Name: ethyl 1-[[3-(ethoxymethyl)-4-methoxy-phenyl]methyl]-4-(phenylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-benzyl-1-[[3-(ethoxymethyl)-4-methoxy-phenyl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-4-(phenylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzyl-1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 4-benzyl-1-[3-(ethoxymethyl)-4-methoxy-benzyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C26H36NO4+ MolecularWeight: 426.56834

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(C=CC(=C1)C[NH+]2CCC(CC2)(CC3=CC=CC=C3)C(=O)OCC)OC

Isomeric SMILES

CCOCC1=C(C=CC(=C1)C[NH+]2CCC(CC2)(CC3=CC=CC=C3)C(=O)OCC)OC

InChI

InChI=1S/C26H35NO4/c1-4-30-20-23-17-22(11-12-24(23)29-3)19-27-15-13-26(14-16-27,25(28)31-5-2)18-21-9-7-6-8-10-21/h6-12,17H,4-5,13-16,18-20H2,1-3H3/p+1