1-ethyl-1-methyl-piperidin-1-ium-3-ol; 2-oxidanyl-2,2-diphenyl-ethanoate; bromide

Systemtic Name: 1-ethyl-1-methyl-piperidin-1-ium-3-ol; 2-oxidanyl-2,2-diphenyl-ethanoate; bromide Openeye Name: 1-ethyl-1-methyl-piperidin-1-ium-3-ol; 2-hydroxy-2,2-diphenyl-acetate; bromide CAS Name: 1-ethyl-1-methyl-3-piperidin-1-iumol; 2-hydroxy-2,2-diphenylacetate; bromide IUPAC Name: 1-ethyl-1-methylpiperidin-1-ium-3-ol; 2-hydroxy-2,2-diphenylacetate; bromide Traditional Name: benzilate; 1-ethyl-1-methyl-piperidin-1-ium-3-ol; bromide Formula: C22H29BrNO4- MolecularWeight: 451.37396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12O3.C8H18NO.BrH/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-3-9(2)6-4-5-8(10)7-9;/h1-10,17H,(H,15,16);8,10H,3-7H2,1-2H3;1H/q;+1;/p-2