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

Systemtic Name: N-[2-[(5-ethanoylthiophen-3-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]pyridine-4-carboxamide Openeye Name: N-[2-[(5-acetyl-3-thienyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]pyridine-4-carboxamide CAS Name: N-[2-[(5-acetyl-3-thiophenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]-4-pyridinecarboxamide IUPAC Name: N-[2-[(5-acetylthiophen-3-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]pyridine-4-carboxamide Traditional Name: N-[2-[(5-acetyl-3-thienyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]isonicotinamide Formula: C22H22N3O2S+ MolecularWeight: 392.49398

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CS1)C[NH+]2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=NC=C4

Isomeric SMILES

CC(=O)C1=CC(=CS1)C[NH+]2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=NC=C4

InChI

InChI=1S/C22H21N3O2S/c1-15(26)21-10-16(14-28-21)12-25-9-6-17-2-3-20(11-19(17)13-25)24-22(27)18-4-7-23-8-5-18/h2-5,7-8,10-11,14H,6,9,12-13H2,1H3,(H,24,27)/p+1