6-azanyl-8-phenyl-2-propan-2-yl-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile

Systemtic Name: 6-azanyl-8-phenyl-2-propan-2-yl-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile Openeye Name: 6-amino-2-isopropyl-8-phenyl-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile CAS Name: 6-amino-8-phenyl-2-propan-2-yl-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile IUPAC Name: 6-amino-8-phenyl-2-propan-2-yl-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile Traditional Name: 6-amino-2-isopropyl-8-phenyl-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile Formula: C21H22N5+ MolecularWeight: 344.43288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=CC=C3

Isomeric SMILES

CC(C)[NH+]1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=CC=C3

InChI

InChI=1S/C21H21N5/c1-14(2)26-9-8-16-17(10-22)20(25)21(12-23,13-24)19(18(16)11-26)15-6-4-3-5-7-15/h3-8,14,18-19H,9,11,25H2,1-2H3/p+1