(5-bromanyl-2-methoxy-phenyl)methyl-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]-ethyl-azanium

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]-ethyl-azanium Openeye Name: (5-bromo-2-methoxy-phenyl)methyl-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl]-ethyl-ammonium CAS Name: (5-bromo-2-methoxyphenyl)methyl-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-ethylammonium IUPAC Name: (5-bromo-2-methoxyphenyl)methyl-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-ethylazanium Traditional Name: (5-bromo-2-methoxy-benzyl)-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl]-ethyl-ammonium Formula: C20H24BrN2O4+ MolecularWeight: 436.31956

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=C(C=CC(=C1)Br)OC)CC(=O)NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC[NH+](CC1=C(C=CC(=C1)Br)OC)CC(=O)NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H23BrN2O4/c1-3-23(12-14-10-15(21)4-6-17(14)25-2)13-20(24)22-16-5-7-18-19(11-16)27-9-8-26-18/h4-7,10-11H,3,8-9,12-13H2,1-2H3,(H,22,24)/p+1