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

Systemtic Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide Formula: C25H26N5OS+ MolecularWeight: 444.57184

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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)C5=CC=CC=N5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C[NH+]4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C25H25N5OS/c1-18-5-10-21-22(16-18)32-25(28-21)19-6-8-20(9-7-19)27-24(31)17-29-12-14-30(15-13-29)23-4-2-3-11-26-23/h2-11,16H,12-15,17H2,1H3,(H,27,31)/p+1