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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

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