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

Systemtic Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C26H27N4OS+ MolecularWeight: 443.58378

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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=C5

Isomeric SMILES

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

InChI

InChI=1S/C26H26N4OS/c1-19-7-12-23-24(17-19)32-26(28-23)20-8-10-21(11-9-20)27-25(31)18-29-13-15-30(16-14-29)22-5-3-2-4-6-22/h2-12,17H,13-16,18H2,1H3,(H,27,31)/p+1