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

Systemtic Name: N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-thiophen-2-yl-ethyl]butanamide Openeye Name: N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-(2-thienyl)ethyl]butanamide CAS Name: N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-thiophen-2-ylethyl]butanamide IUPAC Name: N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-thiophen-2-ylethyl]butanamide Traditional Name: N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-(2-thienyl)ethyl]butyramide Formula: C19H25N2OS+ MolecularWeight: 329.4796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2OS/c1-2-6-19(22)20-13-17(18-9-5-12-23-18)21-11-10-15-7-3-4-8-16(15)14-21/h3-5,7-9,12,17H,2,6,10-11,13-14H2,1H3,(H,20,22)/p+1/t17-/m1/s1