azepan-2-ylidene-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]-(2-methoxyphenyl)azanium

Systemtic Name: azepan-2-ylidene-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]-(2-methoxyphenyl)azanium Openeye Name: azepan-2-ylidene-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl]-(2-methoxyphenyl)ammonium CAS Name: 2-azepanylidene-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-(2-methoxyphenyl)ammonium IUPAC Name: azepan-2-ylidene-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-(2-methoxyphenyl)azanium Traditional Name: azepan-2-ylidene-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl]-(2-methoxyphenyl)ammonium Formula: C23H27N2O4+ MolecularWeight: 395.47148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1[N+](=C2CCCCCN2)CC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC1=CC=CC=C1[N+](=C2CCCCCN2)CC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C23H26N2O4/c1-27-20-8-5-4-7-18(20)25(23-9-3-2-6-12-24-23)16-19(26)17-10-11-21-22(15-17)29-14-13-28-21/h4-5,7-8,10-11,15H,2-3,6,9,12-14,16H2,1H3/p+1