[1-methyl-1-(2-phenoxyethyl)piperidin-1-ium-3-yl] 2-oxidanyl-2,2-diphenyl-ethanoate

Systemtic Name: [1-methyl-1-(2-phenoxyethyl)piperidin-1-ium-3-yl] 2-oxidanyl-2,2-diphenyl-ethanoate Openeye Name: [1-methyl-1-(2-phenoxyethyl)piperidin-1-ium-3-yl] 2-hydroxy-2,2-diphenyl-acetate CAS Name: 2-hydroxy-2,2-diphenylacetic acid [1-methyl-1-(2-phenoxyethyl)-3-piperidin-1-iumyl] ester IUPAC Name: [1-methyl-1-(2-phenoxyethyl)piperidin-1-ium-3-yl] 2-hydroxy-2,2-diphenylacetate Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid [1-methyl-1-(2-phenoxyethyl)piperidin-1-ium-3-yl] ester Formula: C28H32NO4+ MolecularWeight: 446.55798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CCOC4=CC=CC=C4

Isomeric SMILES

C[N+]1(CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CCOC4=CC=CC=C4

InChI

InChI=1S/C28H32NO4/c1-29(20-21-32-25-16-9-4-10-17-25)19-11-18-26(22-29)33-27(30)28(31,23-12-5-2-6-13-23)24-14-7-3-8-15-24/h2-10,12-17,26,31H,11,18-22H2,1H3/q+1