4,5,6-trimethyl-2-sulfanylidene-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyridine-3-carbonitrile

Systemtic Name: 4,5,6-trimethyl-2-sulfanylidene-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyridine-3-carbonitrile Openeye Name: 4,5,6-trimethyl-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-2-thioxo-pyridine-3-carbonitrile CAS Name: 4,5,6-trimethyl-2-sulfanylidene-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3-pyridinecarbonitrile IUPAC Name: 4,5,6-trimethyl-2-sulfanylidene-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyridine-3-carbonitrile Traditional Name: 4,5,6-trimethyl-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-2-thioxo-nicotinonitrile Formula: C19H22N3S+ MolecularWeight: 324.46308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=S)C(=C1C)C#N)C[NH+]2CCC3=CC=CC=C3C2)C

Isomeric SMILES

CC1=C(N(C(=S)C(=C1C)C#N)C[NH+]2CCC3=CC=CC=C3C2)C

InChI

InChI=1S/C19H21N3S/c1-13-14(2)18(10-20)19(23)22(15(13)3)12-21-9-8-16-6-4-5-7-17(16)11-21/h4-7H,8-9,11-12H2,1-3H3/p+1