N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide

Systemtic Name: N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Openeye Name: N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide CAS Name: N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide IUPAC Name: N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Traditional Name: N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Formula: C23H28N3O2+ MolecularWeight: 378.48732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CCNC(=O)C2=CNC3=CC=CC=[N+]3C2=O)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CCNC(=O)C2=CNC3=CC=CC=[N+]3C2=O)C)C(C)(C)C

InChI

InChI=1S/C23H27N3O2/c1-15-12-17(23(3,4)5)13-16(2)18(15)9-10-24-21(27)19-14-25-20-8-6-7-11-26(20)22(19)28/h6-8,11-14H,9-10H2,1-5H3,(H,24,27)/p+1