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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-(3-nitroanilino)-2-oxo-ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-(3-nitroanilino)-2-oxoethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-(3-nitroanilino)-2-oxoethyl]azanium Traditional Name: cyclopentyl-[2-keto-2-(3-nitroanilino)ethyl]-piperonyl-ammonium Formula: C21H24N3O5+ MolecularWeight: 398.43236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5/c25-21(22-16-4-3-7-18(11-16)24(26)27)13-23(17-5-1-2-6-17)12-15-8-9-19-20(10-15)29-14-28-19/h3-4,7-11,17H,1-2,5-6,12-14H2,(H,22,25)/p+1