6-[1-[(6-phenoxypyridin-3-yl)methyl]piperidin-1-ium-4-yl]-1H-pyrimidin-4-one

Systemtic Name: 6-[1-[(6-phenoxypyridin-3-yl)methyl]piperidin-1-ium-4-yl]-1H-pyrimidin-4-one Openeye Name: 6-[1-[(6-phenoxy-3-pyridyl)methyl]piperidin-1-ium-4-yl]-1H-pyrimidin-4-one CAS Name: 6-[1-[(6-phenoxy-3-pyridinyl)methyl]-4-piperidin-1-iumyl]-1H-pyrimidin-4-one IUPAC Name: 6-[1-[(6-phenoxypyridin-3-yl)methyl]piperidin-1-ium-4-yl]-1H-pyrimidin-4-one Traditional Name: 6-[1-[(6-phenoxy-3-pyridyl)methyl]piperidin-1-ium-4-yl]-1H-pyrimidin-4-one Formula: C21H23N4O2+ MolecularWeight: 363.43292

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=CC(=O)N=CN2)CC3=CN=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1C2=CC(=O)N=CN2)CC3=CN=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C21H22N4O2/c26-20-12-19(23-15-24-20)17-8-10-25(11-9-17)14-16-6-7-21(22-13-16)27-18-4-2-1-3-5-18/h1-7,12-13,15,17H,8-11,14H2,(H,23,24,26)/p+1