azepan-2-ylidene-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]-(2,5-dimethylphenyl)azanium

Systemtic Name: azepan-2-ylidene-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]-(2,5-dimethylphenyl)azanium Openeye Name: azepan-2-ylidene-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl]-(2,5-dimethylphenyl)ammonium CAS Name: 2-azepanylidene-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-(2,5-dimethylphenyl)ammonium IUPAC Name: azepan-2-ylidene-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-(2,5-dimethylphenyl)azanium Traditional Name: azepan-2-ylidene-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl]-(2,5-dimethylphenyl)ammonium Formula: C24H29N2O3+ MolecularWeight: 393.49866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O3/c1-17-7-8-18(2)20(14-17)26(24-6-4-3-5-11-25-24)16-21(27)19-9-10-22-23(15-19)29-13-12-28-22/h7-10,14-15H,3-6,11-13,16H2,1-2H3/p+1