N-(2,7-dimethyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(2,7-dimethyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(2,7-dimethyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(2,7-dimethyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(2,7-dimethyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(4-keto-2,7-dimethyl-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)-4-pyrrolidinosulfonyl-benzamide Formula: C21H23N4O4S+ MolecularWeight: 427.49672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=C(C2=O)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=C(C2=O)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C

InChI

InChI=1S/C21H22N4O4S/c1-14-5-10-18-22-15(2)19(21(27)25(18)13-14)23-20(26)16-6-8-17(9-7-16)30(28,29)24-11-3-4-12-24/h5-10,13H,3-4,11-12H2,1-2H3,(H,23,26)/p+1