(5-bromanyl-2-methoxy-phenyl)methyl-[3-(methylazaniumyl)propyl]azanium

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl-[3-(methylazaniumyl)propyl]azanium Openeye Name: (5-bromo-2-methoxy-phenyl)methyl-[3-(methylammonio)propyl]ammonium CAS Name: (5-bromo-2-methoxyphenyl)methyl-[3-(methylammonio)propyl]ammonium IUPAC Name: (5-bromo-2-methoxyphenyl)methyl-[3-(methylazaniumyl)propyl]azanium Traditional Name: (5-bromo-2-methoxy-benzyl)-[3-(methylammonio)propyl]ammonium Formula: C12H21BrN2O+2 MolecularWeight: 289.21194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19BrN2O/c1-14-6-3-7-15-9-10-8-11(13)4-5-12(10)16-2/h4-5,8,14-15H,3,6-7,9H2,1-2H3/p+2