2-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-1-morpholino-ethanone CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperazin-1-iumyl]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-1-morpholin-4-ylethanone Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-1-morpholino-ethanone Formula: C17H23N4O2S+ MolecularWeight: 347.45512

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H22N4O2S/c22-16(20-9-11-23-12-10-20)13-19-5-7-21(8-6-19)17-18-14-3-1-2-4-15(14)24-17/h1-4H,5-13H2/p+1