2-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 2-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]methyl]-7-methyl-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one Formula: C17H24N3O+ MolecularWeight: 286.39196

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC2=CC(=O)N3C=C(C=CC3=N2)C)C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)CC2=CC(=O)N3C=C(C=CC3=N2)C)C

InChI

InChI=1S/C17H23N3O/c1-12-4-5-16-18-15(7-17(21)20(16)10-12)11-19-8-13(2)6-14(3)9-19/h4-5,7,10,13-14H,6,8-9,11H2,1-3H3/p+1/t13-,14-/m1/s1