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

Systemtic Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(4-methylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(4-methylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(4-methyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(4-methylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(4-methylpiperazin-1-ium-1-yl)acetamide Formula: C21H25N4OS+ MolecularWeight: 381.5144

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4OS/c1-15-3-8-18-19(13-15)27-21(23-18)16-4-6-17(7-5-16)22-20(26)14-25-11-9-24(2)10-12-25/h3-8,13H,9-12,14H2,1-2H3,(H,22,26)/p+1