(5-bromanylthiophen-2-yl)methyl-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]-ethyl-azanium

Systemtic Name: (5-bromanylthiophen-2-yl)methyl-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]-ethyl-azanium Openeye Name: (5-bromo-2-thienyl)methyl-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl]-ethyl-ammonium CAS Name: (5-bromo-2-thiophenyl)methyl-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-ethylammonium IUPAC Name: (5-bromothiophen-2-yl)methyl-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-ethylazanium Traditional Name: (5-bromo-2-thienyl)methyl-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl]-ethyl-ammonium Formula: C17H20BrN2O3S+ MolecularWeight: 412.3213

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=C(S1)Br)CC(=O)NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC[NH+](CC1=CC=C(S1)Br)CC(=O)NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C17H19BrN2O3S/c1-2-20(10-13-4-6-16(18)24-13)11-17(21)19-12-3-5-14-15(9-12)23-8-7-22-14/h3-6,9H,2,7-8,10-11H2,1H3,(H,19,21)/p+1