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

Systemtic Name: 2-azanyl-4-(4-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-(4-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile CAS Name: 2-amino-4-[4-(methylthio)phenyl]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile IUPAC Name: 2-amino-4-(4-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-[4-(methylthio)phenyl]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Formula: C17H18N3S+ MolecularWeight: 296.40992

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=C(C(=[NH+]C3=C2CCCC3)N)C#N

Isomeric SMILES

CSC1=CC=C(C=C1)C2=C(C(=[NH+]C3=C2CCCC3)N)C#N

InChI

InChI=1S/C17H17N3S/c1-21-12-8-6-11(7-9-12)16-13-4-2-3-5-15(13)20-17(19)14(16)10-18/h6-9H,2-5H2,1H3,(H2,19,20)/p+1