(3R)-4-oxidanylidene-4-phenyl-3-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]butanoate

Systemtic Name: (3R)-4-oxidanylidene-4-phenyl-3-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]butanoate Openeye Name: (3R)-3-[(4-benzylpiperidin-1-ium-1-yl)methyl]-4-oxo-4-phenyl-butanoate CAS Name: (3R)-4-oxo-4-phenyl-3-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]butanoate IUPAC Name: (3R)-3-[(4-benzylpiperidin-1-ium-1-yl)methyl]-4-oxo-4-phenylbutanoate Traditional Name: (3R)-3-[(4-benzylpiperidin-1-ium-1-yl)methyl]-4-keto-4-phenyl-butyrate Formula: C23H27NO3 MolecularWeight: 365.46538

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CC(CC(=O)[O-])C(=O)C3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)C[C@@H](CC(=O)[O-])C(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H27NO3/c25-22(26)16-21(23(27)20-9-5-2-6-10-20)17-24-13-11-19(12-14-24)15-18-7-3-1-4-8-18/h1-10,19,21H,11-17H2,(H,25,26)/t21-/m1/s1