N-[2-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]pyridine-4-carboxamide

Systemtic Name: N-[2-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]pyridine-4-carboxamide Openeye Name: N-[2-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]pyridine-4-carboxamide CAS Name: N-[2-[[2-(methylthio)-5-pyrimidinyl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]-4-pyridinecarboxamide IUPAC Name: N-[2-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]pyridine-4-carboxamide Traditional Name: N-[2-[[2-(methylthio)pyrimidin-5-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]isonicotinamide Formula: C21H22N5OS+ MolecularWeight: 392.49728

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C=N1)C[NH+]2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=NC=C4

Isomeric SMILES

CSC1=NC=C(C=N1)C[NH+]2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=NC=C4

InChI

InChI=1S/C21H21N5OS/c1-28-21-23-11-15(12-24-21)13-26-9-6-16-2-3-19(10-18(16)14-26)25-20(27)17-4-7-22-8-5-17/h2-5,7-8,10-12H,6,9,13-14H2,1H3,(H,25,27)/p+1