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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[4-[(3-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[4-[(3-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[4-[(3-methoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[4-[(3-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-(4-m-anisylpiperazine-1,4-diium-1-yl)acetamide Formula: C21H27N3O4+2 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CC[NH+](CC2)CC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CC[NH+](CC2)CC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H25N3O4/c1-26-18-4-2-3-16(11-18)13-23-7-9-24(10-8-23)14-21(25)22-17-5-6-19-20(12-17)28-15-27-19/h2-6,11-12H,7-10,13-15H2,1H3,(H,22,25)/p+2