6-azanyl-8-(2,4-dimethylphenyl)-2-methyl-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile

Systemtic Name: 6-azanyl-8-(2,4-dimethylphenyl)-2-methyl-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile Openeye Name: 6-amino-8-(2,4-dimethylphenyl)-2-methyl-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile CAS Name: 6-amino-8-(2,4-dimethylphenyl)-2-methyl-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile IUPAC Name: 6-amino-8-(2,4-dimethylphenyl)-2-methyl-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile Traditional Name: 6-amino-8-(2,4-dimethylphenyl)-2-methyl-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:

CC1=CC(=C(C=C1)C2C3C[NH+](CC=C3C(=C(C2(C#N)C#N)N)C#N)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2C3C[NH+](CC=C3C(=C(C2(C#N)C#N)N)C#N)C)C

InChI

InChI=1S/C21H21N5/c1-13-4-5-15(14(2)8-13)19-18-10-26(3)7-6-16(18)17(9-22)20(25)21(19,11-23)12-24/h4-6,8,18-19H,7,10,25H2,1-3H3/p+1