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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(phenylcarbamoyl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(phenylcarbamoyl)acetamide CAS Name: N-[anilino(oxo)methyl]-2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(phenylcarbamoyl)acetamide Traditional Name: N-(phenylcarbamoyl)-2-(4-piperonylpiperazine-1,4-diium-1-yl)acetamide Formula: C21H26N4O4+2 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC(=O)NC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC(=O)NC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C21H24N4O4/c26-20(23-21(27)22-17-4-2-1-3-5-17)14-25-10-8-24(9-11-25)13-16-6-7-18-19(12-16)29-15-28-18/h1-7,12H,8-11,13-15H2,(H2,22,23,26,27)/p+2