1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-(2,3-dimethyl-6-nitro-anilino)-2-oxo-ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl]azanium Traditional Name: cyclopentyl-[2-(2,3-dimethyl-6-nitro-anilino)-2-keto-ethyl]-piperonyl-ammonium Formula: C23H28N3O5+ MolecularWeight: 426.48552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O5/c1-15-7-9-19(26(28)29)23(16(15)2)24-22(27)13-25(18-5-3-4-6-18)12-17-8-10-20-21(11-17)31-14-30-20/h7-11,18H,3-6,12-14H2,1-2H3,(H,24,27)/p+1