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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(2,4-dichlorophenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(2,4-dichlorophenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(2,4-dichlorophenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(2,4-dichlorophenyl)methanone Traditional Name: (2,4-dichlorophenyl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C19H19Cl2N2O3+ MolecularWeight: 394.27176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C19H18Cl2N2O3/c20-14-2-3-15(16(21)10-14)19(24)23-7-5-22(6-8-23)11-13-1-4-17-18(9-13)26-12-25-17/h1-4,9-10H,5-8,11-12H2/p+1