6-methyl-2-[2-[[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-2-[2-[[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Openeye Name: 6-methyl-2-[2-[[(3R)-3-(3-pyridylmethyl)piperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one CAS Name: 6-methyl-2-[2-[[(3R)-3-(3-pyridinylmethyl)-1-piperidin-1-iumyl]methyl]phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-methyl-2-[2-[[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Traditional Name: 6-methyl-2-[2-[[(3R)-3-(3-pyridylmethyl)piperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Formula: C23H27N4O+ MolecularWeight: 375.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)C2=CC=CC=C2C[NH+]3CCCC(C3)CC4=CN=CC=C4

Isomeric SMILES

CC1=CC(=O)N=C(N1)C2=CC=CC=C2C[NH+]3CCC[C@@H](C3)CC4=CN=CC=C4

InChI

InChI=1S/C23H26N4O/c1-17-12-22(28)26-23(25-17)21-9-3-2-8-20(21)16-27-11-5-7-19(15-27)13-18-6-4-10-24-14-18/h2-4,6,8-10,12,14,19H,5,7,11,13,15-16H2,1H3,(H,25,26,28)/p+1/t19-/m1/s1