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

Systemtic Name: azepan-2-ylidene-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]-(2-methylphenyl)azanium Openeye Name: azepan-2-ylidene-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl]-(o-tolyl)ammonium CAS Name: 2-azepanylidene-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-(2-methylphenyl)ammonium IUPAC Name: azepan-2-ylidene-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-(2-methylphenyl)azanium Traditional Name: azepan-2-ylidene-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl]-(o-tolyl)ammonium Formula: C23H27N2O3+ MolecularWeight: 379.47208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1[N+](=C2CCCCCN2)CC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC=CC=C1[N+](=C2CCCCCN2)CC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C23H26N2O3/c1-17-7-4-5-8-19(17)25(23-9-3-2-6-12-24-23)16-20(26)18-10-11-21-22(15-18)28-14-13-27-21/h4-5,7-8,10-11,15H,2-3,6,9,12-14,16H2,1H3/p+1