2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-(3-methoxypropyl)ethanamide

Systemtic Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-(3-methoxypropyl)ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-1-iumyl]-N-(3-methoxypropyl)acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide Formula: C18H27N4O2S+ MolecularWeight: 363.49758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C[NH+]1CCN(CC1)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

COCCCNC(=O)C[NH+]1CCN(CC1)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H26N4O2S/c1-24-12-4-7-19-17(23)13-21-8-10-22(11-9-21)14-18-20-15-5-2-3-6-16(15)25-18/h2-3,5-6H,4,7-14H2,1H3,(H,19,23)/p+1