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

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-[(4-methoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-p-anisylpiperazine-1,4-diium-1-yl)acetamide Formula: C23H29N3O5+2 MolecularWeight: 427.49346

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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=C(C=C4)OC)OCO2

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O5/c1-16(27)19-11-21-22(31-15-30-21)12-20(19)24-23(28)14-26-9-7-25(8-10-26)13-17-3-5-18(29-2)6-4-17/h3-6,11-12H,7-10,13-15H2,1-2H3,(H,24,28)/p+2