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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC=CC2=CC=CC=C2OC

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)C/C=C/C2=CC=CC=C2OC

InChI

InChI=1S/C18H25NO3/c1-3-22-18(20)16-10-7-13-19(14-16)12-6-9-15-8-4-5-11-17(15)21-2/h4-6,8-9,11,16H,3,7,10,12-14H2,1-2H3/p+1/b9-6+/t16-/m0/s1