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

Systemtic Name: ethyl (3S)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-3-(phenylmethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-3-benzyl-1-[[5-(methoxymethyl)-2-furyl]methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[[5-(methoxymethyl)-2-furanyl]methyl]-3-(phenylmethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-benzyl-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-3-benzyl-1-[[5-(methoxymethyl)-2-furyl]methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C22H30NO4+ MolecularWeight: 372.4779

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)CC2=CC=C(O2)COC)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)CC2=CC=C(O2)COC)CC3=CC=CC=C3

InChI

InChI=1S/C22H29NO4/c1-3-26-21(24)22(14-18-8-5-4-6-9-18)12-7-13-23(17-22)15-19-10-11-20(27-19)16-25-2/h4-6,8-11H,3,7,12-17H2,1-2H3/p+1/t22-/m0/s1