4-[(2-chlorophenyl)methyl]-3-methyl-2,6-diphenyl-piperidin-1-ium-4-ol; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 4-[(2-chlorophenyl)methyl]-3-methyl-2,6-diphenyl-piperidin-1-ium-4-ol; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 4-[(2-chlorophenyl)methyl]-3-methyl-2,6-diphenyl-piperidin-1-ium-4-ol; 2-hydroxy-2-oxo-acetate CAS Name: 4-[(2-chlorophenyl)methyl]-3-methyl-2,6-diphenyl-4-piperidin-1-iumol; 2-hydroxy-2-oxoacetate IUPAC Name: 4-[(2-chlorophenyl)methyl]-3-methyl-2,6-diphenylpiperidin-1-ium-4-ol; 2-hydroxy-2-oxoacetate Traditional Name: 4-(2-chlorobenzyl)-3-methyl-2,6-diphenyl-piperidin-1-ium-4-ol binoxalate Formula: C27H28ClNO5 MolecularWeight: 481.96792

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Descriptors Computed from Structure

Canonical SMILES:

CC1C([NH2+]C(CC1(CC2=CC=CC=C2Cl)O)C3=CC=CC=C3)C4=CC=CC=C4.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC1C([NH2+]C(CC1(CC2=CC=CC=C2Cl)O)C3=CC=CC=C3)C4=CC=CC=C4.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C25H26ClNO.C2H2O4/c1-18-24(20-12-6-3-7-13-20)27-23(19-10-4-2-5-11-19)17-25(18,28)16-21-14-8-9-15-22(21)26;3-1(4)2(5)6/h2-15,18,23-24,27-28H,16-17H2,1H3;(H,3,4)(H,5,6)