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

Systemtic Name: 2-azanyl-4-(5-methyl-4-nitro-thiophen-2-yl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-(5-methyl-4-nitro-2-thienyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile CAS Name: 2-amino-4-(5-methyl-4-nitro-2-thiophenyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile IUPAC Name: 2-amino-4-(5-methyl-4-nitrothiophen-2-yl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-(5-methyl-4-nitro-2-thienyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Formula: C15H15N4O2S+ MolecularWeight: 315.3702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(S1)C2=C(C(=[NH+]C3=C2CCCC3)N)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(S1)C2=C(C(=[NH+]C3=C2CCCC3)N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C15H14N4O2S/c1-8-12(19(20)21)6-13(22-8)14-9-4-2-3-5-11(9)18-15(17)10(14)7-16/h6H,2-5H2,1H3,(H2,17,18)/p+1