7-methyl-2-[(2-oxidanylidene-5-pyrrolidin-1-ylsulfonyl-pyridin-1-yl)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 7-methyl-2-[(2-oxidanylidene-5-pyrrolidin-1-ylsulfonyl-pyridin-1-yl)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 7-methyl-2-[(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridyl)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 7-methyl-2-[[2-oxo-5-(1-pyrrolidinylsulfonyl)-1-pyridinyl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 7-methyl-2-[(2-oxo-5-pyrrolidin-1-ylsulfonylpyridin-1-yl)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[(2-keto-5-pyrrolidinosulfonyl-1-pyridyl)methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C19H21N4O4S+ MolecularWeight: 401.45944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CN3C=C(C=CC3=O)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CN3C=C(C=CC3=O)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C19H20N4O4S/c1-14-4-6-17-20-15(10-19(25)23(17)11-14)12-21-13-16(5-7-18(21)24)28(26,27)22-8-2-3-9-22/h4-7,10-11,13H,2-3,8-9,12H2,1H3/p+1