2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-ium-1-yl]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-ium-1-yl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[4-(benzothiophen-3-ylmethyl)piperazin-1-ium-1-yl]-1-morpholino-ethanone CAS Name: 2-[4-(1-benzothiophen-3-ylmethyl)-1-piperazin-1-iumyl]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-ium-1-yl]-1-morpholin-4-ylethanone Traditional Name: 2-[4-(benzothiophen-3-ylmethyl)piperazin-1-ium-1-yl]-1-morpholino-ethanone Formula: C19H26N3O2S+ MolecularWeight: 360.49364

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCOCC2)CC3=CSC4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCOCC2)CC3=CSC4=CC=CC=C43

InChI

InChI=1S/C19H25N3O2S/c23-19(22-9-11-24-12-10-22)14-21-7-5-20(6-8-21)13-16-15-25-18-4-2-1-3-17(16)18/h1-4,15H,5-14H2/p+1