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

Systemtic Name: 6-azanyl-8-(2-fluorophenyl)-2-propyl-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile Openeye Name: 6-amino-8-(2-fluorophenyl)-2-propyl-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile CAS Name: 6-amino-8-(2-fluorophenyl)-2-propyl-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile IUPAC Name: 6-amino-8-(2-fluorophenyl)-2-propyl-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile Traditional Name: 6-amino-8-(2-fluorophenyl)-2-propyl-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile Formula: C21H21FN5+ MolecularWeight: 362.423343

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=CC=C3F

Isomeric SMILES

CCC[NH+]1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=CC=C3F

InChI

InChI=1S/C21H20FN5/c1-2-8-27-9-7-14-16(10-23)20(26)21(12-24,13-25)19(17(14)11-27)15-5-3-4-6-18(15)22/h3-7,17,19H,2,8-9,11,26H2,1H3/p+1