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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCC(C2=CC=CS2)[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC[C@H](C2=CC=CS2)[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H24N2OS/c1-17-6-4-9-19(14-17)23(26)24-15-21(22-10-5-13-27-22)25-12-11-18-7-2-3-8-20(18)16-25/h2-10,13-14,21H,11-12,15-16H2,1H3,(H,24,26)/p+1/t21-/m1/s1