ethyl (3R)-3-(2-methoxyethyl)-1-[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-3-(2-methoxyethyl)-1-[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[(E)-3-(4-hydroxy-3-methoxy-phenyl)allyl]-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]-3-(2-methoxyethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[(E)-3-(4-hydroxy-3-methoxy-phenyl)allyl]-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C21H32NO5+ MolecularWeight: 378.48248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)CC=CC2=CC(=C(C=C2)O)OC)CCOC

Isomeric SMILES

CCOC(=O)[C@]1(CCC[NH+](C1)C/C=C/C2=CC(=C(C=C2)O)OC)CCOC

InChI

InChI=1S/C21H31NO5/c1-4-27-20(24)21(11-14-25-2)10-6-13-22(16-21)12-5-7-17-8-9-18(23)19(15-17)26-3/h5,7-9,15,23H,4,6,10-14,16H2,1-3H3/p+1/b7-5+/t21-/m1/s1