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

Systemtic Name: ethyl 1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(E)-3-(2-methoxyphenyl)allyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(E)-3-(2-methoxyphenyl)allyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C18H26NO3+ MolecularWeight: 304.40394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC=CC2=CC=CC=C2OC

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)C/C=C/C2=CC=CC=C2OC

InChI

InChI=1S/C18H25NO3/c1-3-22-18(20)16-10-13-19(14-11-16)12-6-8-15-7-4-5-9-17(15)21-2/h4-9,16H,3,10-14H2,1-2H3/p+1/b8-6+