4-pyridin-1-ium-4-yl-2-sulfanyl-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile

Systemtic Name: 4-pyridin-1-ium-4-yl-2-sulfanyl-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Openeye Name: 4-pyridin-1-ium-4-yl-2-sulfanyl-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile CAS Name: 2-mercapto-4-(4-pyridin-1-iumyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile IUPAC Name: 4-pyridin-1-ium-4-yl-2-sulfanyl-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Traditional Name: 2-mercapto-4-pyridin-1-ium-4-yl-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Formula: C15H15N3S+2 MolecularWeight: 269.3647

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(C(=[NH+]2)S)C#N)C3=CC=[NH+]C=C3

Isomeric SMILES

C1CCC2=C(C1)C(=C(C(=[NH+]2)S)C#N)C3=CC=[NH+]C=C3

InChI

InChI=1S/C15H13N3S/c16-9-12-14(10-5-7-17-8-6-10)11-3-1-2-4-13(11)18-15(12)19/h5-8H,1-4H2,(H,18,19)/p+2