2-methylsulfanyl-N-[(2S)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]pyridine-3-carboxamide

Systemtic Name: 2-methylsulfanyl-N-[(2S)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]pyridine-3-carboxamide Openeye Name: 2-methylsulfanyl-N-[(2S)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]pyridine-3-carboxamide CAS Name: N-[(2S)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: 2-methylsulfanyl-N-[(2S)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]pyridine-3-carboxamide Traditional Name: N-[(2S)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]-2-(methylthio)nicotinamide Formula: C21H28N3OS+ MolecularWeight: 370.53152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC(=O)C1=C(N=CC=C1)SC)[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(C)[C@@H](CNC(=O)C1=C(N=CC=C1)SC)[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C21H27N3OS/c1-15(2)19(24-12-10-16-7-4-5-8-17(16)14-24)13-23-20(25)18-9-6-11-22-21(18)26-3/h4-9,11,15,19H,10,12-14H2,1-3H3,(H,23,25)/p+1/t19-/m1/s1