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

Systemtic Name: N'-cyclopentyl-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-thiophen-2-yl-ethyl]ethanediamide Openeye Name: N'-cyclopentyl-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-(2-thienyl)ethyl]oxamide CAS Name: N'-cyclopentyl-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-thiophen-2-ylethyl]oxamide IUPAC Name: N'-cyclopentyl-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-thiophen-2-ylethyl]oxamide Traditional Name: N'-cyclopentyl-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-(2-thienyl)ethyl]oxamide Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C(=O)NCC(C2=CC=CS2)[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CCC(C1)NC(=O)C(=O)NC[C@H](C2=CC=CS2)[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H27N3O2S/c26-21(22(27)24-18-8-3-4-9-18)23-14-19(20-10-5-13-28-20)25-12-11-16-6-1-2-7-17(16)15-25/h1-2,5-7,10,13,18-19H,3-4,8-9,11-12,14-15H2,(H,23,26)(H,24,27)/p+1/t19-/m1/s1