2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide Formula: C20H22ClN4O2S+ MolecularWeight: 417.93228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H21ClN4O2S/c1-27-16-5-6-17-18(12-16)28-20(22-17)23-19(26)13-24-7-9-25(10-8-24)15-4-2-3-14(21)11-15/h2-6,11-12H,7-10,13H2,1H3,(H,22,23,26)/p+1