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

Systemtic Name: ethyl 1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-(phenylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-benzyl-1-[(E)-3-(2-methoxyphenyl)allyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-(phenylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzyl-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-1-ium-4-carboxylate Traditional Name: 4-benzyl-1-[(E)-3-(2-methoxyphenyl)allyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C25H32NO3+ MolecularWeight: 394.52648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC=CC2=CC=CC=C2OC)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)C/C=C/C2=CC=CC=C2OC)CC3=CC=CC=C3

InChI

InChI=1S/C25H31NO3/c1-3-29-24(27)25(20-21-10-5-4-6-11-21)15-18-26(19-16-25)17-9-13-22-12-7-8-14-23(22)28-2/h4-14H,3,15-20H2,1-2H3/p+1/b13-9+