N-(1,3-benzothiazol-2-yl)-2-[4-(4-chlorophenyl)carbonylpiperazin-1-ium-1-yl]-N-ethyl-ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[4-(4-chlorophenyl)carbonylpiperazin-1-ium-1-yl]-N-ethyl-ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[4-(4-chlorobenzoyl)piperazin-1-ium-1-yl]-N-ethyl-acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-ethylacetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[4-(4-chlorobenzoyl)piperazin-1-ium-1-yl]-N-ethylacetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[4-(4-chlorobenzoyl)piperazin-1-ium-1-yl]-N-ethyl-acetamide Formula: C22H24ClN4O2S+ MolecularWeight: 443.96956

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NC2=CC=CC=C2S1)C(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCN(C1=NC2=CC=CC=C2S1)C(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H23ClN4O2S/c1-2-27(22-24-18-5-3-4-6-19(18)30-22)20(28)15-25-11-13-26(14-12-25)21(29)16-7-9-17(23)10-8-16/h3-10H,2,11-15H2,1H3/p+1