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

Systemtic Name: N-[2-[(3-methylsulfanylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]pyridine-4-carboxamide Openeye Name: N-[2-[(3-methylsulfanylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]pyridine-4-carboxamide CAS Name: N-[2-[[3-(methylthio)phenyl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]-4-pyridinecarboxamide IUPAC Name: N-[2-[(3-methylsulfanylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]pyridine-4-carboxamide Traditional Name: N-[2-[3-(methylthio)benzyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]isonicotinamide Formula: C23H24N3OS+ MolecularWeight: 390.52116

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)C[NH+]2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=NC=C4

Isomeric SMILES

CSC1=CC=CC(=C1)C[NH+]2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=NC=C4

InChI

InChI=1S/C23H23N3OS/c1-28-22-4-2-3-17(13-22)15-26-12-9-18-5-6-21(14-20(18)16-26)25-23(27)19-7-10-24-11-8-19/h2-8,10-11,13-14H,9,12,15-16H2,1H3,(H,25,27)/p+1