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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[(5-chloranyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]-cyclopentyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-(5-chloro-2-methoxy-anilino)-2-oxo-ethyl]-cyclopentyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-cyclopentylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-cyclopentylazanium Traditional Name: [2-(5-chloro-2-methoxy-anilino)-2-keto-ethyl]-cyclopentyl-piperonyl-ammonium Formula: C22H26ClN2O4+ MolecularWeight: 417.90584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)C[NH+](CC2=CC3=C(C=C2)OCO3)C4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)C[NH+](CC2=CC3=C(C=C2)OCO3)C4CCCC4

InChI

InChI=1S/C22H25ClN2O4/c1-27-19-9-7-16(23)11-18(19)24-22(26)13-25(17-4-2-3-5-17)12-15-6-8-20-21(10-15)29-14-28-20/h6-11,17H,2-5,12-14H2,1H3,(H,24,26)/p+1