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

Systemtic Name: N'-phenyl-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-thiophen-2-yl-ethyl]ethanediamide Openeye Name: N'-phenyl-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-(2-thienyl)ethyl]oxamide CAS Name: N'-phenyl-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-thiophen-2-ylethyl]oxamide IUPAC Name: N'-phenyl-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-thiophen-2-ylethyl]oxamide Traditional Name: N'-phenyl-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-(2-thienyl)ethyl]oxamide Formula: C23H24N3O2S+ MolecularWeight: 406.52056

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)C(CNC(=O)C(=O)NC3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)[C@H](CNC(=O)C(=O)NC3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C23H23N3O2S/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/h1-11,14,20H,12-13,15-16H2,(H,24,27)(H,25,28)/p+1/t20-/m1/s1