(5-bromanyl-2-oxidanyl-phenyl)methyl-[2-(pyridin-3-ylcarbonylamino)ethyl]azanium

Systemtic Name: (5-bromanyl-2-oxidanyl-phenyl)methyl-[2-(pyridin-3-ylcarbonylamino)ethyl]azanium Openeye Name: (5-bromo-2-hydroxy-phenyl)methyl-[2-(pyridine-3-carbonylamino)ethyl]ammonium CAS Name: (5-bromo-2-hydroxyphenyl)methyl-[2-[[oxo(3-pyridinyl)methyl]amino]ethyl]ammonium IUPAC Name: (5-bromo-2-hydroxyphenyl)methyl-[2-(pyridine-3-carbonylamino)ethyl]azanium Traditional Name: (5-bromo-2-hydroxy-benzyl)-(2-nicotinamidoethyl)ammonium Formula: C15H17BrN3O2+ MolecularWeight: 351.21838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)NCC[NH2+]CC2=C(C=CC(=C2)Br)O

Isomeric SMILES

C1=CC(=CN=C1)C(=O)NCC[NH2+]CC2=C(C=CC(=C2)Br)O

InChI

InChI=1S/C15H16BrN3O2/c16-13-3-4-14(20)12(8-13)10-18-6-7-19-15(21)11-2-1-5-17-9-11/h1-5,8-9,18,20H,6-7,10H2,(H,19,21)/p+1