4-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]benzenecarbonitrile

Systemtic Name: 4-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]benzenecarbonitrile Openeye Name: 4-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]benzonitrile CAS Name: 4-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]benzonitrile IUPAC Name: 4-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]benzonitrile Traditional Name: 4-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]benzonitrile Formula: C18H19N2O2+ MolecularWeight: 295.35566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C([NH2+]CCC2=C1)C3=CC=C(C=C3)C#N)OC

Isomeric SMILES

COC1=C(C=C2[C@@H]([NH2+]CCC2=C1)C3=CC=C(C=C3)C#N)OC

InChI

InChI=1S/C18H18N2O2/c1-21-16-9-14-7-8-20-18(15(14)10-17(16)22-2)13-5-3-12(11-19)4-6-13/h3-6,9-10,18,20H,7-8H2,1-2H3/p+1/t18-/m0/s1