N-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethyl]thiophene-2-carboxamide

Systemtic Name: N-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethyl]thiophene-2-carboxamide Openeye Name: N-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethyl]thiophene-2-carboxamide CAS Name: N-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-piperazin-1-iumyl]ethyl]-2-thiophenecarboxamide IUPAC Name: N-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethyl]thiophene-2-carboxamide Traditional Name: N-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethyl]thiophene-2-carboxamide Formula: C20H25N4OS2+ MolecularWeight: 401.5687

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N3CC[NH+](CC3)CCNC(=O)C4=CC=CS4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N3CC[NH+](CC3)CCNC(=O)C4=CC=CS4)C

InChI

InChI=1S/C20H24N4OS2/c1-14-5-6-16-18(15(14)2)22-20(27-16)24-11-9-23(10-12-24)8-7-21-19(25)17-4-3-13-26-17/h3-6,13H,7-12H2,1-2H3,(H,21,25)/p+1