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

Systemtic Name: 2-[4-[4-(1,3-benzothiazol-2-yl)quinolin-2-yl]piperazin-1-ium-1-yl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[4-[4-(1,3-benzothiazol-2-yl)-2-quinolyl]piperazin-1-ium-1-yl]-1-morpholino-ethanone CAS Name: 2-[4-[4-(1,3-benzothiazol-2-yl)-2-quinolinyl]-1-piperazin-1-iumyl]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[4-[4-(1,3-benzothiazol-2-yl)quinolin-2-yl]piperazin-1-ium-1-yl]-1-morpholin-4-ylethanone Traditional Name: 2-[4-[4-(1,3-benzothiazol-2-yl)-2-quinolyl]piperazin-1-ium-1-yl]-1-morpholino-ethanone Formula: C26H28N5O2S+ MolecularWeight: 474.59782

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C3=NC4=CC=CC=C4C(=C3)C5=NC6=CC=CC=C6S5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C3=NC4=CC=CC=C4C(=C3)C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C26H27N5O2S/c32-25(31-13-15-33-16-14-31)18-29-9-11-30(12-10-29)24-17-20(19-5-1-2-6-21(19)27-24)26-28-22-7-3-4-8-23(22)34-26/h1-8,17H,9-16,18H2/p+1