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

Systemtic Name: 6-methyl-2-[[4-(phenylmethyl)piperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(4-benzylpiperazin-1-yl)methyl]-6-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 6-methyl-2-[[4-(phenylmethyl)-1-piperazinyl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(4-benzylpiperazin-1-yl)methyl]-6-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[(4-benzylpiperazino)methyl]-6-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C21H25N4O+ MolecularWeight: 349.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+]2C(=CC=C1)NC(=CC2=O)CN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=[N+]2C(=CC=C1)NC(=CC2=O)CN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H24N4O/c1-17-6-5-9-20-22-19(14-21(26)25(17)20)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+1