2,5-dimethyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]pyrazole-3-carboxamide

Systemtic Name: 2,5-dimethyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]pyrazole-3-carboxamide Openeye Name: 2,5-dimethyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]pyrazole-3-carboxamide CAS Name: 2,5-dimethyl-N-[2-(4-methyl-1-piperazin-4-iumyl)-1,3-benzothiazol-6-yl]-3-pyrazolecarboxamide IUPAC Name: 2,5-dimethyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]pyrazole-3-carboxamide Traditional Name: 2,5-dimethyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]pyrazole-3-carboxamide Formula: C18H23N6OS+ MolecularWeight: 371.47982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)N4CC[NH+](CC4)C)C

Isomeric SMILES

CC1=NN(C(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)N4CC[NH+](CC4)C)C

InChI

InChI=1S/C18H22N6OS/c1-12-10-15(23(3)21-12)17(25)19-13-4-5-14-16(11-13)26-18(20-14)24-8-6-22(2)7-9-24/h4-5,10-11H,6-9H2,1-3H3,(H,19,25)/p+1