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

Systemtic Name: N'-cyclopropyl-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-thiophen-2-yl-ethyl]ethanediamide Openeye Name: N'-cyclopropyl-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-(2-thienyl)ethyl]oxamide CAS Name: N'-cyclopropyl-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-thiophen-2-ylethyl]oxamide IUPAC Name: N'-cyclopropyl-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-thiophen-2-ylethyl]oxamide Traditional Name: N'-cyclopropyl-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-(2-thienyl)ethyl]oxamide Formula: C20H24N3O2S+ MolecularWeight: 370.48846

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C(=O)NCC(C2=CC=CS2)[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CC1NC(=O)C(=O)NC[C@H](C2=CC=CS2)[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C20H23N3O2S/c24-19(20(25)22-16-7-8-16)21-12-17(18-6-3-11-26-18)23-10-9-14-4-1-2-5-15(14)13-23/h1-6,11,16-17H,7-10,12-13H2,(H,21,24)(H,22,25)/p+1/t17-/m1/s1