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

Systemtic Name: 2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]ethanamide Openeye Name: 2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide CAS Name: 2-[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide IUPAC Name: 2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide Traditional Name: 2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide Formula: C22H27N4O2S+ MolecularWeight: 411.54038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C[NH+]4CCN(CC4)CCO

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C[NH+]4CCN(CC4)CCO

InChI

InChI=1S/C22H26N4O2S/c1-16-2-7-19-20(14-16)29-22(24-19)17-3-5-18(6-4-17)23-21(28)15-26-10-8-25(9-11-26)12-13-27/h2-7,14,27H,8-13,15H2,1H3,(H,23,28)/p+1