9-methyl-2-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 9-methyl-2-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 9-methyl-2-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C22H27N3O+2 MolecularWeight: 349.46928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2NC(=CC(=O)[N+]2=CC=C1)C[NH+]3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C2NC(=CC(=O)[N+]2=CC=C1)C[NH+]3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O/c1-17-6-5-11-25-21(26)15-20(23-22(17)25)16-24-12-9-19(10-13-24)14-18-7-3-2-4-8-18/h2-8,11,15,19H,9-10,12-14,16H2,1H3/p+2