azepan-2-ylidene-[2-(2-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]-(4-methoxyphenyl)azanium

Systemtic Name: azepan-2-ylidene-[2-(2-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]-(4-methoxyphenyl)azanium Openeye Name: azepan-2-ylidene-[2-(2-fluoro-4-methoxy-phenyl)-2-oxo-ethyl]-(4-methoxyphenyl)ammonium CAS Name: 2-azepanylidene-[2-(2-fluoro-4-methoxyphenyl)-2-oxoethyl]-(4-methoxyphenyl)ammonium IUPAC Name: azepan-2-ylidene-[2-(2-fluoro-4-methoxyphenyl)-2-oxoethyl]-(4-methoxyphenyl)azanium Traditional Name: azepan-2-ylidene-[2-(2-fluoro-4-methoxy-phenyl)-2-keto-ethyl]-(4-methoxyphenyl)ammonium Formula: C22H26FN2O3+ MolecularWeight: 385.451843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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