[1-methyl-1-(3-pyrimidin-4-ylpropyl)piperidin-1-ium-4-yl] 2-oxidanyl-2,2-diphenyl-ethanoate

Systemtic Name: [1-methyl-1-(3-pyrimidin-4-ylpropyl)piperidin-1-ium-4-yl] 2-oxidanyl-2,2-diphenyl-ethanoate Openeye Name: [1-methyl-1-(3-pyrimidin-4-ylpropyl)piperidin-1-ium-4-yl] 2-hydroxy-2,2-diphenyl-acetate CAS Name: 2-hydroxy-2,2-diphenylacetic acid [1-methyl-1-[3-(4-pyrimidinyl)propyl]-4-piperidin-1-iumyl] ester IUPAC Name: [1-methyl-1-(3-pyrimidin-4-ylpropyl)piperidin-1-ium-4-yl] 2-hydroxy-2,2-diphenylacetate Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid [1-methyl-1-[3-(4-pyrimidyl)propyl]piperidin-1-ium-4-yl] ester Formula: C27H32N3O3+ MolecularWeight: 446.56128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CCCC4=NC=NC=C4

Isomeric SMILES

C[N+]1(CCC(CC1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CCCC4=NC=NC=C4

InChI

InChI=1S/C27H32N3O3/c1-30(18-8-13-24-14-17-28-21-29-24)19-15-25(16-20-30)33-26(31)27(32,22-9-4-2-5-10-22)23-11-6-3-7-12-23/h2-7,9-12,14,17,21,25,32H,8,13,15-16,18-20H2,1H3/q+1