1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-[(2-iodanylphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-[(2-iodanylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-(2-iodoanilino)-2-oxo-ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-(2-iodoanilino)-2-oxoethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-(2-iodoanilino)-2-oxoethyl]azanium Traditional Name: cyclopentyl-[2-(2-iodoanilino)-2-keto-ethyl]-piperonyl-ammonium Formula: C21H24IN2O3+ MolecularWeight: 479.33133

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+](CC2=CC3=C(C=C2)OCO3)CC(=O)NC4=CC=CC=C4I

Isomeric SMILES

C1CCC(C1)[NH+](CC2=CC3=C(C=C2)OCO3)CC(=O)NC4=CC=CC=C4I

InChI

InChI=1S/C21H23IN2O3/c22-17-7-3-4-8-18(17)23-21(25)13-24(16-5-1-2-6-16)12-15-9-10-19-20(11-15)27-14-26-19/h3-4,7-11,16H,1-2,5-6,12-14H2,(H,23,25)/p+1