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

Systemtic Name: 2-azanyl-4-(5-bromanylthiophen-2-yl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-(5-bromo-2-thienyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile CAS Name: 2-amino-4-(5-bromo-2-thiophenyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile IUPAC Name: 2-amino-4-(5-bromothiophen-2-yl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-(5-bromo-2-thienyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Formula: C14H13BrN3S+ MolecularWeight: 335.24212

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(C(=[NH+]2)N)C#N)C3=CC=C(S3)Br

Isomeric SMILES

C1CCC2=C(C1)C(=C(C(=[NH+]2)N)C#N)C3=CC=C(S3)Br

InChI

InChI=1S/C14H12BrN3S/c15-12-6-5-11(19-12)13-8-3-1-2-4-10(8)18-14(17)9(13)7-16/h5-6H,1-4H2,(H2,17,18)/p+1