6-azanyl-8-(2-chloranyl-3-fluoranyl-phenyl)-2-methyl-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile

Systemtic Name: 6-azanyl-8-(2-chloranyl-3-fluoranyl-phenyl)-2-methyl-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile Openeye Name: 6-amino-8-(2-chloro-3-fluoro-phenyl)-2-methyl-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile CAS Name: 6-amino-8-(2-chloro-3-fluorophenyl)-2-methyl-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile IUPAC Name: 6-amino-8-(2-chloro-3-fluorophenyl)-2-methyl-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile Traditional Name: 6-amino-8-(2-chloro-3-fluoro-phenyl)-2-methyl-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile Formula: C19H16ClFN5+ MolecularWeight: 368.815243

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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=C(C(=CC=C3)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H15ClFN5/c1-26-6-5-11-13(7-22)18(25)19(9-23,10-24)16(14(11)8-26)12-3-2-4-15(21)17(12)20/h2-5,14,16H,6,8,25H2,1H3/p+1