2-azanyl-4-(2-chloranyl-6-fluoranyl-phenyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile

Systemtic Name: 2-azanyl-4-(2-chloranyl-6-fluoranyl-phenyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-(2-chloro-6-fluoro-phenyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile CAS Name: 2-amino-4-(2-chloro-6-fluorophenyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile IUPAC Name: 2-amino-4-(2-chloro-6-fluorophenyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-(2-chloro-6-fluoro-phenyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Formula: C16H14ClFN3+ MolecularWeight: 302.753863

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(C(=[NH+]2)N)C#N)C3=C(C=CC=C3Cl)F

Isomeric SMILES

C1CCC2=C(C1)C(=C(C(=[NH+]2)N)C#N)C3=C(C=CC=C3Cl)F

InChI

InChI=1S/C16H13ClFN3/c17-11-5-3-6-12(18)15(11)14-9-4-1-2-7-13(9)21-16(20)10(14)8-19/h3,5-6H,1-2,4,7H2,(H2,20,21)/p+1