2-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 2-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[(4-acetylpiperazin-1-ium-1-yl)methyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[(4-acetyl-1-piperazin-1-iumyl)methyl]-7-methyl-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[(4-acetylpiperazin-1-ium-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[(4-acetylpiperazin-1-ium-1-yl)methyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one Formula: C16H21N4O2+ MolecularWeight: 301.36354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)C[NH+]3CCN(CC3)C(=O)C)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)C[NH+]3CCN(CC3)C(=O)C)C=C1

InChI

InChI=1S/C16H20N4O2/c1-12-3-4-15-17-14(9-16(22)20(15)10-12)11-18-5-7-19(8-6-18)13(2)21/h3-4,9-10H,5-8,11H2,1-2H3/p+1