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

Systemtic Name: 7-chloranyl-2-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 7-chloro-2-[[4-(3-thienylmethyl)piperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 7-chloro-2-[[4-(3-thiophenylmethyl)-1-piperazinyl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 7-chloro-2-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 7-chloro-2-[[4-(3-thenyl)piperazino]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C18H20ClN4OS+ MolecularWeight: 375.8956

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC=C2)CC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Cl

Isomeric SMILES

C1CN(CCN1CC2=CSC=C2)CC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Cl

InChI

InChI=1S/C18H19ClN4OS/c19-15-1-2-17-20-16(9-18(24)23(17)11-15)12-22-6-4-21(5-7-22)10-14-3-8-25-13-14/h1-3,8-9,11,13H,4-7,10,12H2/p+1