4,6-dimethyl-2-sulfanylidene-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyridine-3-carboxamide

Systemtic Name: 4,6-dimethyl-2-sulfanylidene-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyridine-3-carboxamide Openeye Name: 4,6-dimethyl-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-2-thioxo-pyridine-3-carboxamide CAS Name: 4,6-dimethyl-2-sulfanylidene-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3-pyridinecarboxamide IUPAC Name: 4,6-dimethyl-2-sulfanylidene-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyridine-3-carboxamide Traditional Name: 4,6-dimethyl-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-2-thioxo-nicotinamide Formula: C18H22N3OS+ MolecularWeight: 328.45178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=S)N1C[NH+]2CCC3=CC=CC=C3C2)C(=O)N)C

Isomeric SMILES

CC1=CC(=C(C(=S)N1C[NH+]2CCC3=CC=CC=C3C2)C(=O)N)C

InChI

InChI=1S/C18H21N3OS/c1-12-9-13(2)21(18(23)16(12)17(19)22)11-20-8-7-14-5-3-4-6-15(14)10-20/h3-6,9H,7-8,10-11H2,1-2H3,(H2,19,22)/p+1