1,1-dimethylpiperidin-1-ium-3-ol; 2-oxidanyl-2,2-diphenyl-ethanoate

Systemtic Name: 1,1-dimethylpiperidin-1-ium-3-ol; 2-oxidanyl-2,2-diphenyl-ethanoate Openeye Name: 1,1-dimethylpiperidin-1-ium-3-ol; 2-hydroxy-2,2-diphenyl-acetate CAS Name: 1,1-dimethyl-3-piperidin-1-iumol; 2-hydroxy-2,2-diphenylacetate IUPAC Name: 1,1-dimethylpiperidin-1-ium-3-ol; 2-hydroxy-2,2-diphenylacetate Traditional Name: benzilate; 1,1-dimethylpiperidin-1-ium-3-ol Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC(C1)O)C.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)[O-])O

Isomeric SMILES

C[N+]1(CCCC(C1)O)C.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)[O-])O

InChI

InChI=1S/C14H12O3.C7H16NO/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-8(2)5-3-4-7(9)6-8/h1-10,17H,(H,15,16);7,9H,3-6H2,1-2H3/q;+1/p-1