ethyl 1-[[5-(hydroxymethyl)furan-2-yl]methyl]-4-(3-phenylpropyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[[5-(hydroxymethyl)furan-2-yl]methyl]-4-(3-phenylpropyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[5-(hydroxymethyl)-2-furyl]methyl]-4-(3-phenylpropyl)piperidin-1-ium-4-carboxylate CAS Name: 1-[[5-(hydroxymethyl)-2-furanyl]methyl]-4-(3-phenylpropyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[5-(hydroxymethyl)furan-2-yl]methyl]-4-(3-phenylpropyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-[(5-methylol-2-furyl)methyl]-4-(3-phenylpropyl)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)CO)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=C(O2)CO)CCCC3=CC=CC=C3

InChI

InChI=1S/C23H31NO4/c1-2-27-22(26)23(12-6-9-19-7-4-3-5-8-19)13-15-24(16-14-23)17-20-10-11-21(18-25)28-20/h3-5,7-8,10-11,25H,2,6,9,12-18H2,1H3/p+1