N-[4,5-dimethyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)thiophen-2-yl]furan-2-carboxamide

Systemtic Name: N-[4,5-dimethyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)thiophen-2-yl]furan-2-carboxamide Openeye Name: N-[4,5-dimethyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-2-thienyl]furan-2-carboxamide CAS Name: N-[4,5-dimethyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-2-thiophenyl]-2-furancarboxamide IUPAC Name: N-[4,5-dimethyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)thiophen-2-yl]furan-2-carboxamide Traditional Name: N-[4,5-dimethyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-2-thienyl]-2-furamide Formula: C21H23N2O2S+ MolecularWeight: 367.48452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C[NH+]2CCC3=CC=CC=C3C2)NC(=O)C4=CC=CO4)C

Isomeric SMILES

CC1=C(SC(=C1C[NH+]2CCC3=CC=CC=C3C2)NC(=O)C4=CC=CO4)C

InChI

InChI=1S/C21H22N2O2S/c1-14-15(2)26-21(22-20(24)19-8-5-11-25-19)18(14)13-23-10-9-16-6-3-4-7-17(16)12-23/h3-8,11H,9-10,12-13H2,1-2H3,(H,22,24)/p+1