2-[[4-(1,3-benzothiazol-3-ium-2-yl)quinolin-2-yl]-methyl-amino]-1-(4-methylpiperazin-4-ium-1-yl)ethanone

Systemtic Name: 2-[[4-(1,3-benzothiazol-3-ium-2-yl)quinolin-2-yl]-methyl-amino]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Openeye Name: 2-[[4-(1,3-benzothiazol-3-ium-2-yl)-2-quinolyl]-methyl-amino]-1-(4-methylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-[[4-(1,3-benzothiazol-3-ium-2-yl)-2-quinolinyl]-methylamino]-1-(4-methyl-1-piperazin-4-iumyl)ethanone IUPAC Name: 2-[[4-(1,3-benzothiazol-3-ium-2-yl)quinolin-2-yl]-methylamino]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-[[4-(1,3-benzothiazol-3-ium-2-yl)-2-quinolyl]-methyl-amino]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Formula: C24H27N5OS+2 MolecularWeight: 433.56908

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CN(C)C2=NC3=CC=CC=C3C(=C2)C4=[NH+]C5=CC=CC=C5S4

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CN(C)C2=NC3=CC=CC=C3C(=C2)C4=[NH+]C5=CC=CC=C5S4

InChI

InChI=1S/C24H25N5OS/c1-27-11-13-29(14-12-27)23(30)16-28(2)22-15-18(17-7-3-4-8-19(17)25-22)24-26-20-9-5-6-10-21(20)31-24/h3-10,15H,11-14,16H2,1-2H3/p+2