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

Systemtic Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-(3-phenylpropyl)ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-(3-phenylpropyl)acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazine-1,4-diiumyl]-N-(3-phenylpropyl)acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-(3-phenylpropyl)acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-(3-phenylpropyl)acetamide Formula: C23H30N4OS+2 MolecularWeight: 410.5755

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=NC3=CC=CC=C3S2)CC(=O)NCCCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=NC3=CC=CC=C3S2)CC(=O)NCCCC4=CC=CC=C4

InChI

InChI=1S/C23H28N4OS/c28-22(24-12-6-9-19-7-2-1-3-8-19)17-26-13-15-27(16-14-26)18-23-25-20-10-4-5-11-21(20)29-23/h1-5,7-8,10-11H,6,9,12-18H2,(H,24,28)/p+2