3-azanyl-1-(4-fluorophenyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile

Systemtic Name: 3-azanyl-1-(4-fluorophenyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 3-amino-1-(4-fluorophenyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 3-amino-1-(4-fluorophenyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 3-amino-1-(4-fluorophenyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 3-amino-1-(4-fluorophenyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C16H15FN3+ MolecularWeight: 268.308803

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C([NH+]=C(C(=C2C1)C#N)N)C3=CC=C(C=C3)F

Isomeric SMILES

C1CCC2=C([NH+]=C(C(=C2C1)C#N)N)C3=CC=C(C=C3)F

InChI

InChI=1S/C16H14FN3/c17-11-7-5-10(6-8-11)15-13-4-2-1-3-12(13)14(9-18)16(19)20-15/h5-8H,1-4H2,(H2,19,20)/p+1