9-methyl-2-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 9-methyl-2-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-9-methyl-pyrido[1,2-a]pyrimidin-4-one CAS Name: 9-methyl-2-[[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-9-methyl-pyrido[1,2-a]pyrimidin-4-one Formula: C21H26N4O+2 MolecularWeight: 350.45734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=CC2=O)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CN2C1=NC(=CC2=O)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H24N4O/c1-17-6-5-9-25-20(26)14-19(22-21(17)25)16-24-12-10-23(11-13-24)15-18-7-3-2-4-8-18/h2-9,14H,10-13,15-16H2,1H3/p+2