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

Systemtic Name: 2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide Formula: C21H25N4O2S+ MolecularWeight: 397.5138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H24N4O2S/c1-15-3-8-18-19(13-15)28-21(22-18)23-20(26)14-24-9-11-25(12-10-24)16-4-6-17(27-2)7-5-16/h3-8,13H,9-12,14H2,1-2H3,(H,22,23,26)/p+1