2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(6-methyl-1,3-benzodioxol-5-yl)ethanamide

Systemtic Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(6-methyl-1,3-benzodioxol-5-yl)ethanamide Openeye Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(6-methyl-1,3-benzodioxol-5-yl)acetamide CAS Name: 2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-N-(6-methyl-1,3-benzodioxol-5-yl)acetamide IUPAC Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(6-methyl-1,3-benzodioxol-5-yl)acetamide Traditional Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(6-methyl-1,3-benzodioxol-5-yl)acetamide Formula: C20H23ClN3O3+ MolecularWeight: 388.86792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1NC(=O)C[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl)OCO2

Isomeric SMILES

CC1=CC2=C(C=C1NC(=O)C[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl)OCO2

InChI

InChI=1S/C20H22ClN3O3/c1-14-9-18-19(27-13-26-18)11-17(14)22-20(25)12-23-5-7-24(8-6-23)16-4-2-3-15(21)10-16/h2-4,9-11H,5-8,12-13H2,1H3,(H,22,25)/p+1