2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-methylpropyl)ethanamide

Systemtic Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-methylpropyl)ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-isobutyl-acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazine-1,4-diiumyl]-N-(2-methylpropyl)acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-methylpropyl)acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-isobutyl-acetamide Formula: C18H28N4OS+2 MolecularWeight: 348.50612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4OS/c1-14(2)11-19-17(23)12-21-7-9-22(10-8-21)13-18-20-15-5-3-4-6-16(15)24-18/h3-6,14H,7-13H2,1-2H3,(H,19,23)/p+2