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

Systemtic Name: 7-methyl-2-[[(3-pyrrolidin-1-ylsulfonylphenyl)amino]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 7-methyl-2-[(3-pyrrolidin-1-ylsulfonylanilino)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 7-methyl-2-[[3-(1-pyrrolidinylsulfonyl)anilino]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 7-methyl-2-[(3-pyrrolidin-1-ylsulfonylanilino)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 7-methyl-2-[(3-pyrrolidinosulfonylanilino)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C20H23N4O3S+ MolecularWeight: 399.48662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CNC3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CNC3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H22N4O3S/c1-15-7-8-19-22-17(12-20(25)24(19)14-15)13-21-16-5-4-6-18(11-16)28(26,27)23-9-2-3-10-23/h4-8,11-12,14,21H,2-3,9-10,13H2,1H3/p+1