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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-[4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]-methylazanium Traditional Name: [2-[4-(4-chlorobenzyl)piperazin-4-ium-1-yl]-2-keto-ethyl]-methyl-piperonyl-ammonium Formula: C22H28ClN3O3+2 MolecularWeight: 417.92902

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H26ClN3O3/c1-24(13-18-4-7-20-21(12-18)29-16-28-20)15-22(27)26-10-8-25(9-11-26)14-17-2-5-19(23)6-3-17/h2-7,12H,8-11,13-16H2,1H3/p+2