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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl]-cyclopentyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-(5-chloro-2-cyano-anilino)-2-oxo-ethyl]-cyclopentyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-cyclopentylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-cyclopentylazanium Traditional Name: [2-(5-chloro-2-cyano-anilino)-2-keto-ethyl]-cyclopentyl-piperonyl-ammonium Formula: C22H23ClN3O3+ MolecularWeight: 412.88932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN3O3/c23-17-7-6-16(11-24)19(10-17)25-22(27)13-26(18-3-1-2-4-18)12-15-5-8-20-21(9-15)29-14-28-20/h5-10,18H,1-4,12-14H2,(H,25,27)/p+1