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

Systemtic Name: N-[6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-1,3-benzothiazol-2-yl]ethanamide Openeye Name: N-[6-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-1,3-benzothiazol-2-yl]acetamide CAS Name: N-[6-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-1,3-benzothiazol-2-yl]acetamide IUPAC Name: N-[6-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-1,3-benzothiazol-2-yl]acetamide Traditional Name: N-[6-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-1,3-benzothiazol-2-yl]acetamide Formula: C19H20N5O2S+ MolecularWeight: 382.4594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C19H19N5O2S/c1-13(25)21-19-22-15-6-5-14(12-16(15)27-19)18(26)24-10-8-23(9-11-24)17-4-2-3-7-20-17/h2-7,12H,8-11H2,1H3,(H,21,22,25)/p+1