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

Systemtic Name: azepan-2-ylidene-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]-(2,3-dihydro-1,4-benzodioxin-6-yl)azanium Openeye Name: azepan-2-ylidene-[2-(4-chlorophenyl)-2-oxo-ethyl]-(2,3-dihydro-1,4-benzodioxin-6-yl)ammonium CAS Name: 2-azepanylidene-[2-(4-chlorophenyl)-2-oxoethyl]-(2,3-dihydro-1,4-benzodioxin-6-yl)ammonium IUPAC Name: azepan-2-ylidene-[2-(4-chlorophenyl)-2-oxoethyl]-(2,3-dihydro-1,4-benzodioxin-6-yl)azanium Traditional Name: azepan-2-ylidene-[2-(4-chlorophenyl)-2-keto-ethyl]-(2,3-dihydro-1,4-benzodioxin-6-yl)ammonium Formula: C22H24ClN2O3+ MolecularWeight: 399.89056

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=[N+](CC(=O)C2=CC=C(C=C2)Cl)C3=CC4=C(C=C3)OCCO4)NCC1

Isomeric SMILES

C1CCC(=[N+](CC(=O)C2=CC=C(C=C2)Cl)C3=CC4=C(C=C3)OCCO4)NCC1

InChI

InChI=1S/C22H23ClN2O3/c23-17-7-5-16(6-8-17)19(26)15-25(22-4-2-1-3-11-24-22)18-9-10-20-21(14-18)28-13-12-27-20/h5-10,14H,1-4,11-13,15H2/p+1