N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-benzylpiperazine-1,4-diium-1-yl)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-benzylpiperazine-1,4-diium-1-yl)acetamide Traditional Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-piperonyl-acetamide Formula: C21H27N3O3+2 MolecularWeight: 369.45738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H25N3O3/c25-21(22-13-18-6-7-19-20(12-18)27-16-26-19)15-24-10-8-23(9-11-24)14-17-4-2-1-3-5-17/h1-7,12H,8-11,13-16H2,(H,22,25)/p+2