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

Systemtic Name: 3-cyclohexyl-9,10-dimethoxy-3,4,6,7-tetrahydro-2H-pyrimido[6,1-a]isoquinolin-3-ium-1-carbonitrile Openeye Name: 3-cyclohexyl-9,10-dimethoxy-3,4,6,7-tetrahydro-2H-pyrimido[6,1-a]isoquinolin-3-ium-1-carbonitrile CAS Name: 3-cyclohexyl-9,10-dimethoxy-3,4,6,7-tetrahydro-2H-pyrimido[6,1-a]isoquinolin-3-ium-1-carbonitrile IUPAC Name: 3-cyclohexyl-9,10-dimethoxy-3,4,6,7-tetrahydro-2H-pyrimido[6,1-a]isoquinolin-3-ium-1-carbonitrile Traditional Name: 3-cyclohexyl-9,10-dimethoxy-3,4,6,7-tetrahydro-2H-pyrimid[6,1-a]isoquinolin-3-ium-1-carbonitrile Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCN3C2=C(C[NH+](C3)C4CCCCC4)C#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CCN3C2=C(C[NH+](C3)C4CCCCC4)C#N)OC

InChI

InChI=1S/C21H27N3O2/c1-25-19-10-15-8-9-23-14-24(17-6-4-3-5-7-17)13-16(12-22)21(23)18(15)11-20(19)26-2/h10-11,17H,3-9,13-14H2,1-2H3/p+1