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

Systemtic Name: N'-cycloheptyl-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-thiophen-2-yl-ethyl]ethanediamide Openeye Name: N'-cycloheptyl-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-(2-thienyl)ethyl]oxamide CAS Name: N'-cycloheptyl-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-thiophen-2-ylethyl]oxamide IUPAC Name: N'-cycloheptyl-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-thiophen-2-ylethyl]oxamide Traditional Name: N'-cycloheptyl-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-(2-thienyl)ethyl]oxamide Formula: C24H32N3O2S+ MolecularWeight: 426.59478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)C(=O)NCC(C2=CC=CS2)[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CCCC(CC1)NC(=O)C(=O)NC[C@H](C2=CC=CS2)[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C24H31N3O2S/c28-23(24(29)26-20-10-3-1-2-4-11-20)25-16-21(22-12-7-15-30-22)27-14-13-18-8-5-6-9-19(18)17-27/h5-9,12,15,20-21H,1-4,10-11,13-14,16-17H2,(H,25,28)(H,26,29)/p+1/t21-/m1/s1