[5-bromanyl-2-(2-oxidanylidene-2-phenylazanyl-ethoxy)phenyl]methyl-cyclopentyl-azanium

Systemtic Name: [5-bromanyl-2-(2-oxidanylidene-2-phenylazanyl-ethoxy)phenyl]methyl-cyclopentyl-azanium Openeye Name: [2-(2-anilino-2-oxo-ethoxy)-5-bromo-phenyl]methyl-cyclopentyl-ammonium CAS Name: [2-(2-anilino-2-oxoethoxy)-5-bromophenyl]methyl-cyclopentylammonium IUPAC Name: [2-(2-anilino-2-oxoethoxy)-5-bromophenyl]methyl-cyclopentylazanium Traditional Name: [2-(2-anilino-2-keto-ethoxy)-5-bromo-benzyl]-cyclopentyl-ammonium Formula: C20H24BrN2O2+ MolecularWeight: 404.32076

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH2+]CC2=C(C=CC(=C2)Br)OCC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CCC(C1)[NH2+]CC2=C(C=CC(=C2)Br)OCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H23BrN2O2/c21-16-10-11-19(15(12-16)13-22-17-6-4-5-7-17)25-14-20(24)23-18-8-2-1-3-9-18/h1-3,8-12,17,22H,4-7,13-14H2,(H,23,24)/p+1