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

Systemtic Name: 9,10-dimethoxy-3-phenethyl-3,4,6,7-tetrahydro-2H-pyrimido[6,1-a]isoquinolin-3-ium-1-carbonitrile Openeye Name: 9,10-dimethoxy-3-phenethyl-3,4,6,7-tetrahydro-2H-pyrimido[6,1-a]isoquinolin-3-ium-1-carbonitrile CAS Name: 9,10-dimethoxy-3-phenethyl-3,4,6,7-tetrahydro-2H-pyrimido[6,1-a]isoquinolin-3-ium-1-carbonitrile IUPAC Name: 9,10-dimethoxy-3-phenethyl-3,4,6,7-tetrahydro-2H-pyrimido[6,1-a]isoquinolin-3-ium-1-carbonitrile Traditional Name: 9,10-dimethoxy-3-phenethyl-3,4,6,7-tetrahydro-2H-pyrimid[6,1-a]isoquinolin-3-ium-1-carbonitrile Formula: C23H26N3O2+ MolecularWeight: 376.47144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCN3C2=C(C[NH+](C3)CCC4=CC=CC=C4)C#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CCN3C2=C(C[NH+](C3)CCC4=CC=CC=C4)C#N)OC

InChI

InChI=1S/C23H25N3O2/c1-27-21-12-18-9-11-26-16-25(10-8-17-6-4-3-5-7-17)15-19(14-24)23(26)20(18)13-22(21)28-2/h3-7,12-13H,8-11,15-16H2,1-2H3/p+1