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

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

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

Isomeric SMILES

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

InChI

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