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

Systemtic Name: ethyl 1-[[5-(methoxymethyl)furan-2-yl]methyl]-4-(3-phenylpropyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[5-(methoxymethyl)-2-furyl]methyl]-4-(3-phenylpropyl)piperidin-1-ium-4-carboxylate CAS Name: 1-[[5-(methoxymethyl)-2-furanyl]methyl]-4-(3-phenylpropyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[5-(methoxymethyl)furan-2-yl]methyl]-4-(3-phenylpropyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-[[5-(methoxymethyl)-2-furyl]methyl]-4-(3-phenylpropyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C24H34NO4+ MolecularWeight: 400.53106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33NO4/c1-3-28-23(26)24(13-7-10-20-8-5-4-6-9-20)14-16-25(17-15-24)18-21-11-12-22(29-21)19-27-2/h4-6,8-9,11-12H,3,7,10,13-19H2,1-2H3/p+1