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

Systemtic Name: N-[2-[(5-methylthiophen-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]pyridine-4-carboxamide Openeye Name: N-[2-[(5-methyl-2-thienyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]pyridine-4-carboxamide CAS Name: N-[2-[(5-methyl-2-thiophenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]-4-pyridinecarboxamide IUPAC Name: N-[2-[(5-methylthiophen-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]pyridine-4-carboxamide Traditional Name: N-[2-[(5-methyl-2-thienyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]isonicotinamide Formula: C21H22N3OS+ MolecularWeight: 364.48388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C[NH+]2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=NC=C4

Isomeric SMILES

CC1=CC=C(S1)C[NH+]2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=NC=C4

InChI

InChI=1S/C21H21N3OS/c1-15-2-5-20(26-15)14-24-11-8-16-3-4-19(12-18(16)13-24)23-21(25)17-6-9-22-10-7-17/h2-7,9-10,12H,8,11,13-14H2,1H3,(H,23,25)/p+1