ethyl (3S)-1-[(E)-3-(furan-2-yl)-2-methyl-prop-2-enyl]-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(E)-3-(furan-2-yl)-2-methyl-prop-2-enyl]-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(E)-3-(2-furyl)-2-methyl-allyl]-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(E)-3-(2-furanyl)-2-methylprop-2-enyl]-3-(2-methoxyethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(E)-3-(2-furyl)-2-methyl-allyl]-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C19H30NO4+ MolecularWeight: 336.4458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)CC(=CC2=CC=CO2)C)CCOC

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)C/C(=C/C2=CC=CO2)/C)CCOC

InChI

InChI=1S/C19H29NO4/c1-4-23-18(21)19(9-12-22-3)8-6-10-20(15-19)14-16(2)13-17-7-5-11-24-17/h5,7,11,13H,4,6,8-10,12,14-15H2,1-3H3/p+1/b16-13+/t19-/m0/s1