4-(dimethylamino)-N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 4-(dimethylamino)-N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]benzamide Openeye Name: 4-(dimethylamino)-N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]benzamide CAS Name: 4-(dimethylamino)-N-[2-(4-methyl-1-piperazin-4-iumyl)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 4-(dimethylamino)-N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]benzamide Traditional Name: 4-(dimethylamino)-N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]benzamide Formula: C21H26N5OS+ MolecularWeight: 396.52904

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)N(C)C

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C21H25N5OS/c1-24(2)17-7-4-15(5-8-17)20(27)22-16-6-9-18-19(14-16)28-21(23-18)26-12-10-25(3)11-13-26/h4-9,14H,10-13H2,1-3H3,(H,22,27)/p+1