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

Systemtic Name: ethyl 1-[(E)-3-(furan-2-yl)-2-methyl-prop-2-enyl]-4-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(E)-3-(2-furyl)-2-methyl-allyl]-4-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(E)-3-(2-furanyl)-2-methylprop-2-enyl]-4-[(3-methoxyphenyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-4-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(E)-3-(2-furyl)-2-methyl-allyl]-4-m-anisyl-piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C24H32NO4+ MolecularWeight: 398.51518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC(=CC2=CC=CO2)C)CC3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)C/C(=C/C2=CC=CO2)/C)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C24H31NO4/c1-4-28-23(26)24(17-20-7-5-8-21(16-20)27-3)10-12-25(13-11-24)18-19(2)15-22-9-6-14-29-22/h5-9,14-16H,4,10-13,17-18H2,1-3H3/p+1/b19-15+