[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-bromanyl-5-methoxy-phenyl]methyl-[3-(methylazaniumyl)propyl]azanium

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-3-bromanyl-5-methoxy-phenyl]methyl-[3-(methylazaniumyl)propyl]azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)-3-bromo-5-methoxy-phenyl]methyl-[3-(methylammonio)propyl]ammonium CAS Name: [4-(2-amino-2-oxoethoxy)-3-bromo-5-methoxyphenyl]methyl-[3-(methylammonio)propyl]ammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)-3-bromo-5-methoxyphenyl]methyl-[3-(methylazaniumyl)propyl]azanium Traditional Name: [4-(2-amino-2-keto-ethoxy)-3-bromo-5-methoxy-benzyl]-[3-(methylammonio)propyl]ammonium Formula: C14H24BrN3O3+2 MolecularWeight: 362.26266

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CCC[NH2+]CC1=CC(=C(C(=C1)Br)OCC(=O)N)OC

Isomeric SMILES

C[NH2+]CCC[NH2+]CC1=CC(=C(C(=C1)Br)OCC(=O)N)OC

InChI

InChI=1S/C14H22BrN3O3/c1-17-4-3-5-18-8-10-6-11(15)14(12(7-10)20-2)21-9-13(16)19/h6-7,17-18H,3-5,8-9H2,1-2H3,(H2,16,19)/p+2