2-[[4-(3-thiophen-2-ylpropanoyl)piperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[[4-(3-thiophen-2-ylpropanoyl)piperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[4-[3-(2-thienyl)propanoyl]piperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[4-(1-oxo-3-thiophen-2-ylpropyl)-1-piperazinyl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[[4-(3-thiophen-2-ylpropanoyl)piperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[4-[3-(2-thienyl)propanoyl]piperazino]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C20H23N4O2S+ MolecularWeight: 383.48722

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=O)[N+]3=CC=CC=C3N2)C(=O)CCC4=CC=CS4

Isomeric SMILES

C1CN(CCN1CC2=CC(=O)[N+]3=CC=CC=C3N2)C(=O)CCC4=CC=CS4

InChI

InChI=1S/C20H22N4O2S/c25-19(7-6-17-4-3-13-27-17)23-11-9-22(10-12-23)15-16-14-20(26)24-8-2-1-5-18(24)21-16/h1-5,8,13-14H,6-7,9-12,15H2/p+1