N-[2-[4-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethyl]propanamide

Systemtic Name: N-[2-[4-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethyl]propanamide Openeye Name: N-[2-[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethyl]propanamide CAS Name: N-[2-[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-piperazin-1-iumyl]ethyl]propanamide IUPAC Name: N-[2-[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethyl]propanamide Traditional Name: N-[2-[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethyl]propionamide Formula: C17H24ClN4OS+ MolecularWeight: 367.91666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NCC[NH+]1CCN(CC1)C2=NC3=C(S2)C=CC(=C3C)Cl

Isomeric SMILES

CCC(=O)NCC[NH+]1CCN(CC1)C2=NC3=C(S2)C=CC(=C3C)Cl

InChI

InChI=1S/C17H23ClN4OS/c1-3-15(23)19-6-7-21-8-10-22(11-9-21)17-20-16-12(2)13(18)4-5-14(16)24-17/h4-5H,3,6-11H2,1-2H3,(H,19,23)/p+1