2-(1-cyano-9,10-dimethoxy-3,4,6,7-tetrahydro-2H-pyrimido[6,1-a]isoquinolin-3-ium-3-yl)ethanoate

Systemtic Name: 2-(1-cyano-9,10-dimethoxy-3,4,6,7-tetrahydro-2H-pyrimido[6,1-a]isoquinolin-3-ium-3-yl)ethanoate Openeye Name: 2-(1-cyano-9,10-dimethoxy-3,4,6,7-tetrahydro-2H-pyrimido[6,1-a]isoquinolin-3-ium-3-yl)acetate CAS Name: 2-(1-cyano-9,10-dimethoxy-3,4,6,7-tetrahydro-2H-pyrimido[6,1-a]isoquinolin-3-ium-3-yl)acetate IUPAC Name: 2-(1-cyano-9,10-dimethoxy-3,4,6,7-tetrahydro-2H-pyrimido[6,1-a]isoquinolin-3-ium-3-yl)acetate Traditional Name: 2-(1-cyano-9,10-dimethoxy-3,4,6,7-tetrahydro-2H-pyrimid[6,1-a]isoquinolin-3-ium-3-yl)acetate Formula: C17H19N3O4 MolecularWeight: 329.35046

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCN3C2=C(C[NH+](C3)CC(=O)[O-])C#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CCN3C2=C(C[NH+](C3)CC(=O)[O-])C#N)OC

InChI

InChI=1S/C17H19N3O4/c1-23-14-5-11-3-4-20-10-19(9-16(21)22)8-12(7-18)17(20)13(11)6-15(14)24-2/h5-6H,3-4,8-10H2,1-2H3,(H,21,22)