N-[6-[4-(4-methylquinolin-1-ium-2-yl)piperazin-1-yl]carbonyl-1,3-benzothiazol-2-yl]methanesulfonamide

Systemtic Name: N-[6-[4-(4-methylquinolin-1-ium-2-yl)piperazin-1-yl]carbonyl-1,3-benzothiazol-2-yl]methanesulfonamide Openeye Name: N-[6-[4-(4-methylquinolin-1-ium-2-yl)piperazine-1-carbonyl]-1,3-benzothiazol-2-yl]methanesulfonamide CAS Name: N-[6-[[4-(4-methyl-2-quinolin-1-iumyl)-1-piperazinyl]-oxomethyl]-1,3-benzothiazol-2-yl]methanesulfonamide IUPAC Name: N-[6-[4-(4-methylquinolin-1-ium-2-yl)piperazine-1-carbonyl]-1,3-benzothiazol-2-yl]methanesulfonamide Traditional Name: N-[6-[4-(4-methylquinolin-1-ium-2-yl)piperazine-1-carbonyl]-1,3-benzothiazol-2-yl]methanesulfonamide Formula: C23H24N5O3S2+ MolecularWeight: 482.59836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=CC=CC=C12)N3CCN(CC3)C(=O)C4=CC5=C(C=C4)N=C(S5)NS(=O)(=O)C

Isomeric SMILES

CC1=CC(=[NH+]C2=CC=CC=C12)N3CCN(CC3)C(=O)C4=CC5=C(C=C4)N=C(S5)NS(=O)(=O)C

InChI

InChI=1S/C23H23N5O3S2/c1-15-13-21(24-18-6-4-3-5-17(15)18)27-9-11-28(12-10-27)22(29)16-7-8-19-20(14-16)32-23(25-19)26-33(2,30)31/h3-8,13-14H,9-12H2,1-2H3,(H,25,26)/p+1