N-(1,3-benzothiazol-2-yl)-2-[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[4-(3,4-dichlorophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]acetamide Formula: C19H19Cl2N4OS+ MolecularWeight: 422.35136

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=NC3=CC=CC=C3S2)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=NC3=CC=CC=C3S2)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C19H18Cl2N4OS/c20-14-6-5-13(11-15(14)21)25-9-7-24(8-10-25)12-18(26)23-19-22-16-3-1-2-4-17(16)27-19/h1-6,11H,7-10,12H2,(H,22,23,26)/p+1