6-tert-butyl-2-sulfanyl-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile

Systemtic Name: 6-tert-butyl-2-sulfanyl-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Openeye Name: 6-tert-butyl-2-sulfanyl-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile CAS Name: 6-tert-butyl-2-mercapto-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile IUPAC Name: 6-tert-butyl-2-sulfanyl-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Traditional Name: 6-tert-butyl-2-mercapto-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Formula: C14H19N2S+ MolecularWeight: 247.37906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2S/c1-14(2,3)11-4-5-12-9(7-11)6-10(8-15)13(17)16-12/h6,11H,4-5,7H2,1-3H3,(H,16,17)/p+1