(E)-2-cyano-N-(3-methoxypropyl)-3-(4-oxidanylidene-2-phenoxy-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(3-methoxypropyl)-3-(4-oxidanylidene-2-phenoxy-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)prop-2-enamide Openeye Name: (E)-2-cyano-N-(3-methoxypropyl)-3-(4-oxo-2-phenoxy-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)prop-2-enamide CAS Name: (E)-2-cyano-N-(3-methoxypropyl)-3-(4-oxo-2-phenoxy-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)-2-propenamide IUPAC Name: (E)-2-cyano-N-(3-methoxypropyl)-3-(4-oxo-2-phenoxy-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(4-keto-2-phenoxy-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)-N-(3-methoxypropyl)acrylamide Formula: C22H21N4O4+ MolecularWeight: 405.42654

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C(=CC1=C(NC2=CC=CC=[N+]2C1=O)OC3=CC=CC=C3)C#N

Isomeric SMILES

COCCCNC(=O)/C(=C/C1=C(NC2=CC=CC=[N+]2C1=O)OC3=CC=CC=C3)/C#N

InChI

InChI=1S/C22H20N4O4/c1-29-13-7-11-24-20(27)16(15-23)14-18-21(30-17-8-3-2-4-9-17)25-19-10-5-6-12-26(19)22(18)28/h2-6,8-10,12,14H,7,11,13H2,1H3,(H,24,27)/p+1/b16-14+