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

Systemtic Name: (4-bromophenyl)methyl-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (4-bromophenyl)methyl-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (4-bromophenyl)methyl-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]-methylammonium IUPAC Name: (4-bromophenyl)methyl-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]-methylazanium Traditional Name: (4-bromobenzyl)-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl]-methyl-ammonium Formula: C19H22BrN2O3+ MolecularWeight: 406.29358

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)Br)CC(=O)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)Br)CC(=O)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H21BrN2O3/c1-22(12-14-3-5-15(20)6-4-14)13-19(23)21-16-7-8-17-18(11-16)25-10-2-9-24-17/h3-8,11H,2,9-10,12-13H2,1H3,(H,21,23)/p+1