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

Systemtic Name: N'-propan-2-yl-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-thiophen-2-yl-ethyl]ethanediamide Openeye Name: N'-isopropyl-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-(2-thienyl)ethyl]oxamide CAS Name: N'-propan-2-yl-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-thiophen-2-ylethyl]oxamide IUPAC Name: N'-propan-2-yl-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-thiophen-2-ylethyl]oxamide Traditional Name: N'-isopropyl-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-(2-thienyl)ethyl]oxamide Formula: C20H26N3O2S+ MolecularWeight: 372.50434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(=O)NCC(C1=CC=CS1)[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(C)NC(=O)C(=O)NC[C@H](C1=CC=CS1)[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C20H25N3O2S/c1-14(2)22-20(25)19(24)21-12-17(18-8-5-11-26-18)23-10-9-15-6-3-4-7-16(15)13-23/h3-8,11,14,17H,9-10,12-13H2,1-2H3,(H,21,24)(H,22,25)/p+1/t17-/m1/s1