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

Systemtic Name: 2-azanyl-4-(5-ethyl-4-nitro-thiophen-2-yl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-(5-ethyl-4-nitro-2-thienyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile CAS Name: 2-amino-4-(5-ethyl-4-nitro-2-thiophenyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile IUPAC Name: 2-amino-4-(5-ethyl-4-nitrothiophen-2-yl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-(5-ethyl-4-nitro-2-thienyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Formula: C16H17N4O2S+ MolecularWeight: 329.39678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C2=C(C(=[NH+]C3=C2CCCC3)N)C#N)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=C(S1)C2=C(C(=[NH+]C3=C2CCCC3)N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O2S/c1-2-13-12(20(21)22)7-14(23-13)15-9-5-3-4-6-11(9)19-16(18)10(15)8-17/h7H,2-6H2,1H3,(H2,18,19)/p+1