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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(3-chloranyl-4-methoxy-phenyl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(3-chloro-4-methoxy-phenyl)acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-N-(3-chloro-4-methoxyphenyl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-2-(4-piperonylpiperazine-1,4-diium-1-yl)acetamide Formula: C21H26ClN3O4+2 MolecularWeight: 419.90184

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C21H24ClN3O4/c1-27-18-5-3-16(11-17(18)22)23-21(26)13-25-8-6-24(7-9-25)12-15-2-4-19-20(10-15)29-14-28-19/h2-5,10-11H,6-9,12-14H2,1H3,(H,23,26)/p+2