6-azanyl-8-(2-methoxyphenyl)-2-(phenylmethyl)-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile

Systemtic Name: 6-azanyl-8-(2-methoxyphenyl)-2-(phenylmethyl)-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile Openeye Name: 6-amino-2-benzyl-8-(2-methoxyphenyl)-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile CAS Name: 6-amino-8-(2-methoxyphenyl)-2-(phenylmethyl)-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile IUPAC Name: 6-amino-2-benzyl-8-(2-methoxyphenyl)-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile Traditional Name: 6-amino-2-benzyl-8-(2-methoxyphenyl)-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile Formula: C26H24N5O+ MolecularWeight: 422.50166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2C3C[NH+](CC=C3C(=C(C2(C#N)C#N)N)C#N)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1C2C3C[NH+](CC=C3C(=C(C2(C#N)C#N)N)C#N)CC4=CC=CC=C4

InChI

InChI=1S/C26H23N5O/c1-32-23-10-6-5-9-20(23)24-22-15-31(14-18-7-3-2-4-8-18)12-11-19(22)21(13-27)25(30)26(24,16-28)17-29/h2-11,22,24H,12,14-15,30H2,1H3/p+1