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

Systemtic Name: 2-(3,4-dihydro-2H-quinolin-1-yl)-1-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(3,4-dihydro-2H-quinolin-1-yl)-1-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(3,4-dihydro-2H-quinolin-1-yl)-1-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(3,4-dihydro-2H-quinolin-1-yl)-1-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(3,4-dihydro-2H-quinolin-1-yl)-1-[4-(2-thenyl)piperazin-4-ium-1-yl]ethanone Formula: C20H26N3OS+ MolecularWeight: 356.50494

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)CC(=O)N3CC[NH+](CC3)CC4=CC=CS4

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)CC(=O)N3CC[NH+](CC3)CC4=CC=CS4

InChI

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