N-[5-ethyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)thiophen-2-yl]benzamide

Systemtic Name: N-[5-ethyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)thiophen-2-yl]benzamide Openeye Name: N-[5-ethyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-2-thienyl]benzamide CAS Name: N-[5-ethyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-2-thiophenyl]benzamide IUPAC Name: N-[5-ethyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)thiophen-2-yl]benzamide Traditional Name: N-[5-ethyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-2-thienyl]benzamide Formula: C23H25N2OS+ MolecularWeight: 377.5224

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)C[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)C[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H24N2OS/c1-2-21-14-20(16-25-13-12-17-8-6-7-11-19(17)15-25)23(27-21)24-22(26)18-9-4-3-5-10-18/h3-11,14H,2,12-13,15-16H2,1H3,(H,24,26)/p+1