6-azanyl-2,3,8a-trimethyl-8-phenyl-1,2,3,8-tetrahydroisoquinolin-2-ium-5,7,7-tricarbonitrile

Systemtic Name: 6-azanyl-2,3,8a-trimethyl-8-phenyl-1,2,3,8-tetrahydroisoquinolin-2-ium-5,7,7-tricarbonitrile Openeye Name: 6-amino-2,3,8a-trimethyl-8-phenyl-1,2,3,8-tetrahydroisoquinolin-2-ium-5,7,7-tricarbonitrile CAS Name: 6-amino-2,3,8a-trimethyl-8-phenyl-1,2,3,8-tetrahydroisoquinolin-2-ium-5,7,7-tricarbonitrile IUPAC Name: 6-amino-2,3,8a-trimethyl-8-phenyl-1,2,3,8-tetrahydroisoquinolin-2-ium-5,7,7-tricarbonitrile Traditional Name: 6-amino-2,3,8a-trimethyl-8-phenyl-1,2,3,8-tetrahydroisoquinolin-2-ium-5,7,7-tricarbonitrile Formula: C21H22N5+ MolecularWeight: 344.43288

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C2C(=C(C(C(C2(C[NH+]1C)C)C3=CC=CC=C3)(C#N)C#N)N)C#N

Isomeric SMILES

CC1C=C2C(=C(C(C(C2(C[NH+]1C)C)C3=CC=CC=C3)(C#N)C#N)N)C#N

InChI

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