1-(1,3-dioxolan-2-ylmethyl)-1-methyl-piperidin-1-ium-4-ol; 2-oxidanyl-2,2-diphenyl-ethanoate; bromide

Systemtic Name: 1-(1,3-dioxolan-2-ylmethyl)-1-methyl-piperidin-1-ium-4-ol; 2-oxidanyl-2,2-diphenyl-ethanoate; bromide Openeye Name: 1-(1,3-dioxolan-2-ylmethyl)-1-methyl-piperidin-1-ium-4-ol; 2-hydroxy-2,2-diphenyl-acetate; bromide CAS Name: 1-(1,3-dioxolan-2-ylmethyl)-1-methyl-4-piperidin-1-iumol; 2-hydroxy-2,2-diphenylacetate; bromide IUPAC Name: 1-(1,3-dioxolan-2-ylmethyl)-1-methylpiperidin-1-ium-4-ol; 2-hydroxy-2,2-diphenylacetate; bromide Traditional Name: benzilate; 1-(1,3-dioxolan-2-ylmethyl)-1-methyl-piperidin-1-ium-4-ol; bromide Formula: C24H31BrNO6- MolecularWeight: 509.41004

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)O)CC2OCCO2.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)[O-])O.[Br-]

Isomeric SMILES

C[N+]1(CCC(CC1)O)CC2OCCO2.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)[O-])O.[Br-]

InChI

InChI=1S/C14H12O3.C10H20NO3.BrH/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-11(4-2-9(12)3-5-11)8-10-13-6-7-14-10;/h1-10,17H,(H,15,16);9-10,12H,2-8H2,1H3;1H/q;+1;/p-2