N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-benzylpiperazine-1,4-diium-1-yl)acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-benzylpiperazine-1,4-diium-1-yl)acetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-benzylpiperazine-1,4-diium-1-yl)acetamide Formula: C22H27N3O4+2 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4)OCO2

InChI

InChI=1S/C22H25N3O4/c1-16(26)18-11-20-21(29-15-28-20)12-19(18)23-22(27)14-25-9-7-24(8-10-25)13-17-5-3-2-4-6-17/h2-6,11-12H,7-10,13-15H2,1H3,(H,23,27)/p+2