N-(2-tert-butyl-1,3-benzoxazol-5-yl)-7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide

Systemtic Name: N-(2-tert-butyl-1,3-benzoxazol-5-yl)-7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Openeye Name: N-(2-tert-butyl-1,3-benzoxazol-5-yl)-7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide CAS Name: N-(2-tert-butyl-1,3-benzoxazol-5-yl)-7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide IUPAC Name: N-(2-tert-butyl-1,3-benzoxazol-5-yl)-7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Traditional Name: N-(2-tert-butyl-1,3-benzoxazol-5-yl)-4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Formula: C21H21N4O3+ MolecularWeight: 377.41644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC=C(C2=O)C(=O)NC3=CC4=C(C=C3)OC(=N4)C(C)(C)C

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC=C(C2=O)C(=O)NC3=CC4=C(C=C3)OC(=N4)C(C)(C)C

InChI

InChI=1S/C21H20N4O3/c1-12-5-8-17-22-10-14(19(27)25(17)11-12)18(26)23-13-6-7-16-15(9-13)24-20(28-16)21(2,3)4/h5-11H,1-4H3,(H,23,26)/p+1