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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-methoxy-5-methyl-phenyl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-methoxy-5-methyl-phenyl)acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-N-(2-methoxy-5-methylphenyl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide Traditional Name: N-(2-methoxy-5-methyl-phenyl)-2-(4-piperonylpiperazine-1,4-diium-1-yl)acetamide Formula: C22H29N3O4+2 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

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