(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3,4-dimethoxy-5-prop-2-enyl-benzoate

Systemtic Name: (7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3,4-dimethoxy-5-prop-2-enyl-benzoate Openeye Name: (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-allyl-4,5-dimethoxy-benzoate CAS Name: 3,4-dimethoxy-5-prop-2-enylbenzoic acid (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3,4-dimethoxy-5-prop-2-enylbenzoate Traditional Name: 3-allyl-4,5-dimethoxy-benzoic acid (4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C22H23N2O5+ MolecularWeight: 395.42842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)COC(=O)C3=CC(=C(C(=C3)OC)OC)CC=C

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)COC(=O)C3=CC(=C(C(=C3)OC)OC)CC=C

InChI

InChI=1S/C22H22N2O5/c1-5-6-15-9-16(10-18(27-3)21(15)28-4)22(26)29-13-17-11-20(25)24-12-14(2)7-8-19(24)23-17/h5,7-12H,1,6,13H2,2-4H3/p+1