2-[(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[4-(2-thenoyl)piperazin-1-ium-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C18H20N4O2S+2 MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)[N+]3=CC=CC=C3N2)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)[N+]3=CC=CC=C3N2)C(=O)C4=CC=CS4

InChI

InChI=1S/C18H18N4O2S/c23-17-12-14(19-16-5-1-2-6-22(16)17)13-20-7-9-21(10-8-20)18(24)15-4-3-11-25-15/h1-6,11-12H,7-10,13H2/p+2