6-methyl-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 6-methyl-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 6-methyl-2-[[4-phenyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 6-methyl-2-[[[4-phenyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 6-methyl-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 6-methyl-2-[[(4-phenyl-5-piperidino-1,2,4-triazol-3-yl)thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C23H25N6OS+ MolecularWeight: 433.5492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+]2C(=CC=C1)NC(=CC2=O)CSC3=NN=C(N3C4=CC=CC=C4)N5CCCCC5

Isomeric SMILES

CC1=[N+]2C(=CC=C1)NC(=CC2=O)CSC3=NN=C(N3C4=CC=CC=C4)N5CCCCC5

InChI

InChI=1S/C23H24N6OS/c1-17-9-8-12-20-24-18(15-21(30)28(17)20)16-31-23-26-25-22(27-13-6-3-7-14-27)29(23)19-10-4-2-5-11-19/h2,4-5,8-12,15H,3,6-7,13-14,16H2,1H3/p+1