7-methyl-2-[[(3-piperidin-1-ylsulfonylphenyl)amino]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 7-methyl-2-[[(3-piperidin-1-ylsulfonylphenyl)amino]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 7-methyl-2-[[3-(1-piperidylsulfonyl)anilino]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 7-methyl-2-[[3-(1-piperidinylsulfonyl)anilino]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 7-methyl-2-[(3-piperidin-1-ylsulfonylanilino)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 7-methyl-2-[(3-piperidinosulfonylanilino)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C21H25N4O3S+ MolecularWeight: 413.5132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CNC3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CNC3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C21H24N4O3S/c1-16-8-9-20-23-18(13-21(26)25(20)15-16)14-22-17-6-5-7-19(12-17)29(27,28)24-10-3-2-4-11-24/h5-9,12-13,15,22H,2-4,10-11,14H2,1H3/p+1