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

Systemtic Name: 2-(4-chloranylphenoxy)ethyl-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoylamino)-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 2-(4-chlorophenoxy)ethyl-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 2-(4-chlorophenoxy)ethyl-[2-[[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-oxomethyl]amino]-2-oxoethyl]-methylammonium IUPAC Name: 2-(4-chlorophenoxy)ethyl-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoylamino)-2-oxoethyl]-methylazanium Traditional Name: 2-(4-chlorophenoxy)ethyl-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoylamino)-2-keto-ethyl]-methyl-ammonium Formula: C21H25ClN3O5+ MolecularWeight: 434.8933

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O5/c1-25(9-12-28-17-6-3-15(22)4-7-17)14-20(26)24-21(27)23-16-5-8-18-19(13-16)30-11-2-10-29-18/h3-8,13H,2,9-12,14H2,1H3,(H2,23,24,26,27)/p+1