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

Systemtic Name: 2-[[4-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-ium-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[4-[(4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazin-1-ium-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[4-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-1-piperazin-1-iumyl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[[4-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-ium-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[4-[(4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazin-1-ium-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C17H23N7OS+2 MolecularWeight: 373.47582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN(C1=S)CN2CC[NH+](CC2)CC3=CC(=O)[N+]4=CC=CC=C4N3

Isomeric SMILES

CN1C=NN(C1=S)CN2CC[NH+](CC2)CC3=CC(=O)[N+]4=CC=CC=C4N3

InChI

InChI=1S/C17H21N7OS/c1-20-12-18-24(17(20)26)13-22-8-6-21(7-9-22)11-14-10-16(25)23-5-3-2-4-15(23)19-14/h2-5,10,12H,6-9,11,13H2,1H3/p+2