[1-methyl-1-(3-pyrimidin-5-ylpropyl)piperidin-1-ium-4-yl] 2-oxidanyl-2,2-diphenyl-ethanoate

Systemtic Name: [1-methyl-1-(3-pyrimidin-5-ylpropyl)piperidin-1-ium-4-yl] 2-oxidanyl-2,2-diphenyl-ethanoate Openeye Name: [1-methyl-1-(3-pyrimidin-5-ylpropyl)piperidin-1-ium-4-yl] 2-hydroxy-2,2-diphenyl-acetate CAS Name: 2-hydroxy-2,2-diphenylacetic acid [1-methyl-1-[3-(5-pyrimidinyl)propyl]-4-piperidin-1-iumyl] ester IUPAC Name: [1-methyl-1-(3-pyrimidin-5-ylpropyl)piperidin-1-ium-4-yl] 2-hydroxy-2,2-diphenylacetate Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid [1-methyl-1-[3-(5-pyrimidyl)propyl]piperidin-1-ium-4-yl] ester Formula: C27H32N3O3+ MolecularWeight: 446.56128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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