2-[(2-chlorophenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile

Systemtic Name: 2-[(2-chlorophenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Openeye Name: 2-[(2-chlorophenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile CAS Name: 2-[(2-chlorophenyl)methylthio]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile IUPAC Name: 2-[(2-chlorophenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Traditional Name: 2-[(2-chlorobenzyl)thio]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Formula: C17H16ClN2S+ MolecularWeight: 315.84034

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(C(=[NH+]2)SCC3=CC=CC=C3Cl)C#N

Isomeric SMILES

C1CCC2=C(C1)C=C(C(=[NH+]2)SCC3=CC=CC=C3Cl)C#N

InChI

InChI=1S/C17H15ClN2S/c18-15-7-3-1-6-13(15)11-21-17-14(10-19)9-12-5-2-4-8-16(12)20-17/h1,3,6-7,9H,2,4-5,8,11H2/p+1