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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-(2-methyl-3-nitro-anilino)-2-oxo-ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-(2-methyl-3-nitroanilino)-2-oxoethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-(2-methyl-3-nitroanilino)-2-oxoethyl]azanium Traditional Name: cyclopentyl-[2-keto-2-(2-methyl-3-nitro-anilino)ethyl]-piperonyl-ammonium Formula: C22H26N3O5+ MolecularWeight: 412.45894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C[NH+](CC2=CC3=C(C=C2)OCO3)C4CCCC4

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C[NH+](CC2=CC3=C(C=C2)OCO3)C4CCCC4

InChI

InChI=1S/C22H25N3O5/c1-15-18(7-4-8-19(15)25(27)28)23-22(26)13-24(17-5-2-3-6-17)12-16-9-10-20-21(11-16)30-14-29-20/h4,7-11,17H,2-3,5-6,12-14H2,1H3,(H,23,26)/p+1