azepan-2-ylidene-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-(2-methoxyphenyl)azanium

Systemtic Name: azepan-2-ylidene-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-(2-methoxyphenyl)azanium Openeye Name: azepan-2-ylidene-[2-(4-bromophenyl)-2-oxo-ethyl]-(2-methoxyphenyl)ammonium CAS Name: 2-azepanylidene-[2-(4-bromophenyl)-2-oxoethyl]-(2-methoxyphenyl)ammonium IUPAC Name: azepan-2-ylidene-[2-(4-bromophenyl)-2-oxoethyl]-(2-methoxyphenyl)azanium Traditional Name: azepan-2-ylidene-[2-(4-bromophenyl)-2-keto-ethyl]-(2-methoxyphenyl)ammonium Formula: C21H24BrN2O2+ MolecularWeight: 416.33146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN2O2/c1-26-20-8-5-4-7-18(20)24(21-9-3-2-6-14-23-21)15-19(25)16-10-12-17(22)13-11-16/h4-5,7-8,10-13H,2-3,6,9,14-15H2,1H3/p+1