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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(5-chloranyl-2-methoxy-phenyl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(5-chloro-2-methoxy-phenyl)acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-N-(5-chloro-2-methoxyphenyl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-2-(4-piperonylpiperazin-1-ium-1-yl)acetamide Formula: C21H25ClN3O4+ MolecularWeight: 418.8939

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O4/c1-27-18-5-3-16(22)11-17(18)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+1