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

Systemtic Name: N-(2-ethylphenyl)-2-[4-[(6-oxidanyl-1,3-benzodioxol-5-yl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperazine-1,4-diium-1-yl]acetamide Formula: C22H29N3O4+2 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3O)OCO4

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3O)OCO4

InChI

InChI=1S/C22H27N3O4/c1-2-16-5-3-4-6-18(16)23-22(27)14-25-9-7-24(8-10-25)13-17-11-20-21(12-19(17)26)29-15-28-20/h3-6,11-12,26H,2,7-10,13-15H2,1H3,(H,23,27)/p+2