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

Systemtic Name: 1,3-benzodioxol-5-yl-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-[(2-chlorophenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-(2-chlorobenzyl)piperazin-4-ium-1-yl]methanone Formula: C19H20ClN2O3+ MolecularWeight: 359.8267

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2Cl)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2Cl)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H19ClN2O3/c20-16-4-2-1-3-15(16)12-21-7-9-22(10-8-21)19(23)14-5-6-17-18(11-14)25-13-24-17/h1-6,11H,7-10,12-13H2/p+1