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

Systemtic Name: 6-azanyl-8-(4-fluorophenyl)-2-methyl-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile Openeye Name: 6-amino-8-(4-fluorophenyl)-2-methyl-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile CAS Name: 6-amino-8-(4-fluorophenyl)-2-methyl-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile IUPAC Name: 6-amino-8-(4-fluorophenyl)-2-methyl-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile Traditional Name: 6-amino-8-(4-fluorophenyl)-2-methyl-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile Formula: C19H17FN5+ MolecularWeight: 334.370183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16FN5/c1-25-7-6-14-15(8-21)18(24)19(10-22,11-23)17(16(14)9-25)12-2-4-13(20)5-3-12/h2-6,16-17H,7,9,24H2,1H3/p+1