2-(4-chloranylphenoxy)ethyl-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 2-(4-chloranylphenoxy)ethyl-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 2-(4-chlorophenoxy)ethyl-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 2-(4-chlorophenoxy)ethyl-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]-methylammonium IUPAC Name: 2-(4-chlorophenoxy)ethyl-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]-methylazanium Traditional Name: 2-(4-chlorophenoxy)ethyl-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl]-methyl-ammonium Formula: C20H24ClN2O4+ MolecularWeight: 391.86856

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCOC1=CC=C(C=C1)Cl)CC(=O)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C[NH+](CCOC1=CC=C(C=C1)Cl)CC(=O)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H23ClN2O4/c1-23(9-12-25-17-6-3-15(21)4-7-17)14-20(24)22-16-5-8-18-19(13-16)27-11-2-10-26-18/h3-8,13H,2,9-12,14H2,1H3,(H,22,24)/p+1