ethyl (3R)-3-(2-methoxyethyl)-1-[(2-prop-2-enoxyphenyl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-3-(2-methoxyethyl)-1-[(2-prop-2-enoxyphenyl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[(2-allyloxyphenyl)methyl]-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylate CAS Name: (3R)-3-(2-methoxyethyl)-1-[(2-prop-2-enoxyphenyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-3-(2-methoxyethyl)-1-[(2-prop-2-enoxyphenyl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-(2-allyloxybenzyl)-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C21H32NO4+ MolecularWeight: 362.48308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)CC2=CC=CC=C2OCC=C)CCOC

Isomeric SMILES

CCOC(=O)[C@]1(CCC[NH+](C1)CC2=CC=CC=C2OCC=C)CCOC

InChI

InChI=1S/C21H31NO4/c1-4-14-26-19-10-7-6-9-18(19)16-22-13-8-11-21(17-22,12-15-24-3)20(23)25-5-2/h4,6-7,9-10H,1,5,8,11-17H2,2-3H3/p+1/t21-/m1/s1