ethyl 1-(furan-2-ylmethyl)-4-phenethyl-piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-(furan-2-ylmethyl)-4-phenethyl-piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-(2-furylmethyl)-4-phenethyl-piperidin-1-ium-4-carboxylate CAS Name: 1-(2-furanylmethyl)-4-phenethyl-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(furan-2-ylmethyl)-4-phenethylpiperidin-1-ium-4-carboxylate Traditional Name: 1-(2-furfuryl)-4-phenethyl-piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C21H28NO3+ MolecularWeight: 342.45192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=CO2)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=CO2)CCC3=CC=CC=C3

InChI

InChI=1S/C21H27NO3/c1-2-24-20(23)21(11-10-18-7-4-3-5-8-18)12-14-22(15-13-21)17-19-9-6-16-25-19/h3-9,16H,2,10-15,17H2,1H3/p+1