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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(4-iodophenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(4-iodophenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(4-iodophenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(4-iodophenyl)methanone Traditional Name: (4-iodophenyl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C19H20IN2O3+ MolecularWeight: 451.27817

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19IN2O3/c20-16-4-2-15(3-5-16)19(23)22-9-7-21(8-10-22)12-14-1-6-17-18(11-14)25-13-24-17/h1-6,11H,7-10,12-13H2/p+1