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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(4-chloranyl-2-methyl-phenyl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(4-chloro-2-methyl-phenyl)acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-N-(4-chloro-2-methylphenyl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(4-chloro-2-methylphenyl)acetamide Traditional Name: N-(4-chloro-2-methyl-phenyl)-2-(4-piperonylpiperazin-1-ium-1-yl)acetamide Formula: C21H25ClN3O3+ MolecularWeight: 402.8945

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O3/c1-15-10-17(22)3-4-18(15)23-21(26)13-25-8-6-24(7-9-25)12-16-2-5-19-20(11-16)28-14-27-19/h2-5,10-11H,6-9,12-14H2,1H3,(H,23,26)/p+1