1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-[methyl-(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-[methyl-(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-(N-methyl-4-nitro-anilino)-2-oxo-ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]azanium Traditional Name: cyclopentyl-[2-keto-2-(N-methyl-4-nitro-anilino)ethyl]-piperonyl-ammonium Formula: C22H26N3O5+ MolecularWeight: 412.45894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O5/c1-23(17-7-9-19(10-8-17)25(27)28)22(26)14-24(18-4-2-3-5-18)13-16-6-11-20-21(12-16)30-15-29-20/h6-12,18H,2-5,13-15H2,1H3/p+1