ethyl 1-[[2-(furan-2-yl)phenyl]methyl]-4-(2-methoxyethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[[2-(furan-2-yl)phenyl]methyl]-4-(2-methoxyethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[2-(2-furyl)phenyl]methyl]-4-(2-methoxyethyl)piperidin-1-ium-4-carboxylate CAS Name: 1-[[2-(2-furanyl)phenyl]methyl]-4-(2-methoxyethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[2-(furan-2-yl)phenyl]methyl]-4-(2-methoxyethyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(2-furyl)benzyl]-4-(2-methoxyethyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C22H30NO4+ MolecularWeight: 372.4779

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=CC=C2C3=CC=CO3)CCOC

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=CC=C2C3=CC=CO3)CCOC

InChI

InChI=1S/C22H29NO4/c1-3-26-21(24)22(12-16-25-2)10-13-23(14-11-22)17-18-7-4-5-8-19(18)20-9-6-15-27-20/h4-9,15H,3,10-14,16-17H2,1-2H3/p+1