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

Systemtic Name: 2-[4-(4-cyanopyridin-2-yl)piperazin-1-ium-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]ethanamide Openeye Name: 2-[4-(4-cyano-2-pyridyl)piperazin-1-ium-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide CAS Name: 2-[4-(4-cyano-2-pyridinyl)-1-piperazin-1-iumyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide IUPAC Name: 2-[4-(4-cyanopyridin-2-yl)piperazin-1-ium-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide Traditional Name: 2-[4-(4-cyano-2-pyridyl)piperazin-1-ium-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide Formula: C26H25N6OS+ MolecularWeight: 469.5813

Click to see the large picture

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=NC=CC(=C5)C#N

Isomeric SMILES

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

InChI

InChI=1S/C26H24N6OS/c1-18-2-7-22-23(14-18)34-26(30-22)20-3-5-21(6-4-20)29-25(33)17-31-10-12-32(13-11-31)24-15-19(16-27)8-9-28-24/h2-9,14-15H,10-13,17H2,1H3,(H,29,33)/p+1