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

Systemtic Name: ethyl 4-[(3-methoxyphenyl)methyl]-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(E)-3-(4-methoxyphenyl)allyl]-4-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 4-[(3-methoxyphenyl)methyl]-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-methoxyphenyl)methyl]-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-1-ium-4-carboxylate Traditional Name: 4-m-anisyl-1-[(E)-3-(4-methoxyphenyl)allyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C26H34NO4+ MolecularWeight: 424.55246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC=CC2=CC=C(C=C2)OC)CC3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)C/C=C/C2=CC=C(C=C2)OC)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C26H33NO4/c1-4-31-25(28)26(20-22-7-5-9-24(19-22)30-3)14-17-27(18-15-26)16-6-8-21-10-12-23(29-2)13-11-21/h5-13,19H,4,14-18,20H2,1-3H3/p+1/b8-6+