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

Systemtic Name: 2-azanyl-4-(3-bromophenyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-(3-bromophenyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile CAS Name: 2-amino-4-(3-bromophenyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile IUPAC Name: 2-amino-4-(3-bromophenyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-(3-bromophenyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Formula: C16H15BrN3+ MolecularWeight: 329.2144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrN3/c17-11-5-3-4-10(8-11)15-12-6-1-2-7-14(12)20-16(19)13(15)9-18/h3-5,8H,1-2,6-7H2,(H2,19,20)/p+1