1,3-benzodioxol-5-ylmethyl-[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-cyclopentyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-cyclopentyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl]-cyclopentyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-(2-bromo-4-nitroanilino)-2-oxoethyl]-cyclopentylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-(2-bromo-4-nitroanilino)-2-oxoethyl]-cyclopentylazanium Traditional Name: [2-(2-bromo-4-nitro-anilino)-2-keto-ethyl]-cyclopentyl-piperonyl-ammonium Formula: C21H23BrN3O5+ MolecularWeight: 477.32842

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+](CC2=CC3=C(C=C2)OCO3)CC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])Br

Isomeric SMILES

C1CCC(C1)[NH+](CC2=CC3=C(C=C2)OCO3)CC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])Br

InChI

InChI=1S/C21H22BrN3O5/c22-17-10-16(25(27)28)6-7-18(17)23-21(26)12-24(15-3-1-2-4-15)11-14-5-8-19-20(9-14)30-13-29-19/h5-10,15H,1-4,11-13H2,(H,23,26)/p+1