ethyl (3S)-3-(2-methoxyethyl)-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-3-(2-methoxyethyl)-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-3-(2-methoxyethyl)-1-[(E)-3-(4-methoxyphenyl)allyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-3-(2-methoxyethyl)-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-(2-methoxyethyl)-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-3-(2-methoxyethyl)-1-[(E)-3-(4-methoxyphenyl)allyl]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)CC=CC2=CC=C(C=C2)OC)CCOC

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO4/c1-4-26-20(23)21(13-16-24-2)12-6-15-22(17-21)14-5-7-18-8-10-19(25-3)11-9-18/h5,7-11H,4,6,12-17H2,1-3H3/p+1/b7-5+/t21-/m0/s1