azepan-2-ylidene-(2,5-dimethoxyphenyl)-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]azanium

Systemtic Name: azepan-2-ylidene-(2,5-dimethoxyphenyl)-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]azanium Openeye Name: azepan-2-ylidene-(2,5-dimethoxyphenyl)-[2-(4-fluorophenyl)-2-oxo-ethyl]ammonium CAS Name: 2-azepanylidene-(2,5-dimethoxyphenyl)-[2-(4-fluorophenyl)-2-oxoethyl]ammonium IUPAC Name: azepan-2-ylidene-(2,5-dimethoxyphenyl)-[2-(4-fluorophenyl)-2-oxoethyl]azanium Traditional Name: azepan-2-ylidene-(2,5-dimethoxyphenyl)-[2-(4-fluorophenyl)-2-keto-ethyl]ammonium Formula: C22H26FN2O3+ MolecularWeight: 385.451843

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)[N+](=C2CCCCCN2)CC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC(=C(C=C1)OC)[N+](=C2CCCCCN2)CC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H25FN2O3/c1-27-18-11-12-21(28-2)19(14-18)25(22-6-4-3-5-13-24-22)15-20(26)16-7-9-17(23)10-8-16/h7-12,14H,3-6,13,15H2,1-2H3/p+1