2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-[4-(2-thenyl)piperazin-4-ium-1-yl]ethanone Formula: C20H27N3OS+2 MolecularWeight: 357.51288

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC(=O)N3CC[NH+](CC3)CC4=CC=CS4

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC(=O)N3CC[NH+](CC3)CC4=CC=CS4

InChI

InChI=1S/C20H25N3OS/c24-20(16-22-8-7-17-4-1-2-5-18(17)14-22)23-11-9-21(10-12-23)15-19-6-3-13-25-19/h1-6,13H,7-12,14-16H2/p+2