N-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-3-chloranyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-3-chloranyl-1-benzothiophene-2-carboxamide Openeye Name: N-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]-3-chloro-benzothiophene-2-carboxamide CAS Name: N-[2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-3-chloro-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-keto-ethyl]-3-chloro-benzothiophene-2-carboxamide Formula: C23H22ClN4O2S2+ MolecularWeight: 486.02938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)CNC(=O)C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)CNC(=O)C4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C23H21ClN4O2S2/c24-21-15-5-1-3-7-17(15)32-22(21)23(30)25-13-20(29)28-11-9-27(10-12-28)14-19-26-16-6-2-4-8-18(16)31-19/h1-8H,9-14H2,(H,25,30)/p+1