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

Systemtic Name: N'-cyclohexyl-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-thiophen-2-yl-ethyl]ethanediamide Openeye Name: N'-cyclohexyl-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-(2-thienyl)ethyl]oxamide CAS Name: N'-cyclohexyl-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-thiophen-2-ylethyl]oxamide IUPAC Name: N'-cyclohexyl-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-thiophen-2-ylethyl]oxamide Traditional Name: N'-cyclohexyl-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-(2-thienyl)ethyl]oxamide Formula: C23H30N3O2S+ MolecularWeight: 412.5682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C(=O)NCC(C2=CC=CS2)[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CCC(CC1)NC(=O)C(=O)NC[C@H](C2=CC=CS2)[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H29N3O2S/c27-22(23(28)25-19-9-2-1-3-10-19)24-15-20(21-11-6-14-29-21)26-13-12-17-7-4-5-8-18(17)16-26/h4-8,11,14,19-20H,1-3,9-10,12-13,15-16H2,(H,24,27)(H,25,28)/p+1/t20-/m1/s1