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

Systemtic Name: 1-ethyl-1-methyl-piperidin-1-ium-3-ol; 2-oxidanyl-2,2-diphenyl-ethanoate Openeye Name: 1-ethyl-1-methyl-piperidin-1-ium-3-ol; 2-hydroxy-2,2-diphenyl-acetate CAS Name: 1-ethyl-1-methyl-3-piperidin-1-iumol; 2-hydroxy-2,2-diphenylacetate IUPAC Name: 1-ethyl-1-methylpiperidin-1-ium-3-ol; 2-hydroxy-2,2-diphenylacetate Traditional Name: benzilate; 1-ethyl-1-methyl-piperidin-1-ium-3-ol Formula: C22H29NO4 MolecularWeight: 371.46996

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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

Isomeric SMILES

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

InChI

InChI=1S/C14H12O3.C8H18NO/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/q;+1/p-1