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

Systemtic Name: 4-[(1S)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]benzenecarbonitrile Openeye Name: 4-[(1S)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]benzonitrile CAS Name: 4-[(1S)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]benzonitrile IUPAC Name: 4-[(1S)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]benzonitrile Traditional Name: 4-[(1S)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]benzonitrile Formula: C20H23N2O2+ MolecularWeight: 323.40882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C([NH2+]CCC2=C1)C3=CC=C(C=C3)C#N)OCC

Isomeric SMILES

CCOC1=C(C=C2[C@@H]([NH2+]CCC2=C1)C3=CC=C(C=C3)C#N)OCC

InChI

InChI=1S/C20H22N2O2/c1-3-23-18-11-16-9-10-22-20(17(16)12-19(18)24-4-2)15-7-5-14(13-21)6-8-15/h5-8,11-12,20,22H,3-4,9-10H2,1-2H3/p+1/t20-/m0/s1