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

Systemtic Name: 3-methyl-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-thiophen-2-yl-ethyl]butanamide Openeye Name: 3-methyl-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-(2-thienyl)ethyl]butanamide CAS Name: 3-methyl-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-thiophen-2-ylethyl]butanamide IUPAC Name: 3-methyl-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-thiophen-2-ylethyl]butanamide Traditional Name: 3-methyl-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-(2-thienyl)ethyl]butyramide Formula: C20H27N2OS+ MolecularWeight: 343.50618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NCC(C1=CC=CS1)[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(C)CC(=O)NC[C@H](C1=CC=CS1)[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C20H26N2OS/c1-15(2)12-20(23)21-13-18(19-8-5-11-24-19)22-10-9-16-6-3-4-7-17(16)14-22/h3-8,11,15,18H,9-10,12-14H2,1-2H3,(H,21,23)/p+1/t18-/m1/s1