ethyl (3S)-1-(oxan-4-yl)-3-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-(oxan-4-yl)-3-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-3-[(E)-cinnamyl]-1-tetrahydropyran-4-yl-piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-(4-oxanyl)-3-[(E)-3-phenylprop-2-enyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(oxan-4-yl)-3-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-3-[(E)-cinnamyl]-1-tetrahydropyran-4-yl-piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C22H32NO3+ MolecularWeight: 358.49438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)C2CCOCC2)CC=CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)C2CCOCC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H31NO3/c1-2-26-21(24)22(13-6-10-19-8-4-3-5-9-19)14-7-15-23(18-22)20-11-16-25-17-12-20/h3-6,8-10,20H,2,7,11-18H2,1H3/p+1/b10-6+/t22-/m1/s1