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

Systemtic Name: N-[2-(4-tert-butylphenoxy)ethyl]-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Openeye Name: N-[2-(4-tert-butylphenoxy)ethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide CAS Name: N-[2-(4-tert-butylphenoxy)ethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide IUPAC Name: N-[2-(4-tert-butylphenoxy)ethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Traditional Name: N-[2-(4-tert-butylphenoxy)ethyl]-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Formula: C21H24N3O3+ MolecularWeight: 366.43356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCNC(=O)C2=CNC3=CC=CC=[N+]3C2=O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCNC(=O)C2=CNC3=CC=CC=[N+]3C2=O

InChI

InChI=1S/C21H23N3O3/c1-21(2,3)15-7-9-16(10-8-15)27-13-11-22-19(25)17-14-23-18-6-4-5-12-24(18)20(17)26/h4-10,12,14H,11,13H2,1-3H3,(H,22,25)/p+1