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

Systemtic Name: 6-azanyl-2-ethyl-8-(2-fluorophenyl)-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile Openeye Name: 6-amino-2-ethyl-8-(2-fluorophenyl)-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile CAS Name: 6-amino-2-ethyl-8-(2-fluorophenyl)-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile IUPAC Name: 6-amino-2-ethyl-8-(2-fluorophenyl)-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile Traditional Name: 6-amino-2-ethyl-8-(2-fluorophenyl)-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile Formula: C20H19FN5+ MolecularWeight: 348.396763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18FN5/c1-2-26-8-7-13-15(9-22)19(25)20(11-23,12-24)18(16(13)10-26)14-5-3-4-6-17(14)21/h3-7,16,18H,2,8,10,25H2,1H3/p+1