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

Systemtic Name: 3-(2-hydroxyethyl)-9,10-dimethoxy-3,4,6,7-tetrahydro-2H-pyrimido[6,1-a]isoquinolin-3-ium-1-carbonitrile Openeye Name: 3-(2-hydroxyethyl)-9,10-dimethoxy-3,4,6,7-tetrahydro-2H-pyrimido[6,1-a]isoquinolin-3-ium-1-carbonitrile CAS Name: 3-(2-hydroxyethyl)-9,10-dimethoxy-3,4,6,7-tetrahydro-2H-pyrimido[6,1-a]isoquinolin-3-ium-1-carbonitrile IUPAC Name: 3-(2-hydroxyethyl)-9,10-dimethoxy-3,4,6,7-tetrahydro-2H-pyrimido[6,1-a]isoquinolin-3-ium-1-carbonitrile Traditional Name: 3-(2-hydroxyethyl)-9,10-dimethoxy-3,4,6,7-tetrahydro-2H-pyrimid[6,1-a]isoquinolin-3-ium-1-carbonitrile Formula: C17H22N3O3+ MolecularWeight: 316.37488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O3/c1-22-15-7-12-3-4-20-11-19(5-6-21)10-13(9-18)17(20)14(12)8-16(15)23-2/h7-8,21H,3-6,10-11H2,1-2H3/p+1