1,3-benzodioxol-5-ylmethyl-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-[4-(3-chlorophenyl)-1-piperazinyl]-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-methylazanium Traditional Name: [2-[4-(3-chlorophenyl)piperazino]-2-keto-ethyl]-methyl-piperonyl-ammonium Formula: C21H25ClN3O3+ MolecularWeight: 402.8945

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

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