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

Systemtic Name: 2-ethyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]pyrazole-3-carboxamide Openeye Name: 2-ethyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]pyrazole-3-carboxamide CAS Name: 2-ethyl-N-[2-(4-methyl-1-piperazin-4-iumyl)-1,3-benzothiazol-6-yl]-3-pyrazolecarboxamide IUPAC Name: 2-ethyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]pyrazole-3-carboxamide Traditional Name: 2-ethyl-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:

CCN1C(=CC=N1)C(=O)NC2=CC3=C(C=C2)N=C(S3)N4CC[NH+](CC4)C

Isomeric SMILES

CCN1C(=CC=N1)C(=O)NC2=CC3=C(C=C2)N=C(S3)N4CC[NH+](CC4)C

InChI

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