ethyl 1-[[5-(methoxymethyl)furan-2-yl]methyl]-4-phenethyl-piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[[5-(methoxymethyl)furan-2-yl]methyl]-4-phenethyl-piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[5-(methoxymethyl)-2-furyl]methyl]-4-phenethyl-piperidin-1-ium-4-carboxylate CAS Name: 1-[[5-(methoxymethyl)-2-furanyl]methyl]-4-phenethyl-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[5-(methoxymethyl)furan-2-yl]methyl]-4-phenethylpiperidin-1-ium-4-carboxylate Traditional Name: 1-[[5-(methoxymethyl)-2-furyl]methyl]-4-phenethyl-piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C23H32NO4+ MolecularWeight: 386.50448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=C(O2)COC)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=C(O2)COC)CCC3=CC=CC=C3

InChI

InChI=1S/C23H31NO4/c1-3-27-22(25)23(12-11-19-7-5-4-6-8-19)13-15-24(16-14-23)17-20-9-10-21(28-20)18-26-2/h4-10H,3,11-18H2,1-2H3/p+1