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

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl-[2-(pyridin-3-ylcarbonylamino)ethyl]azanium Openeye Name: (5-bromo-2-methoxy-phenyl)methyl-[2-(pyridine-3-carbonylamino)ethyl]ammonium CAS Name: (5-bromo-2-methoxyphenyl)methyl-[2-[[oxo(3-pyridinyl)methyl]amino]ethyl]ammonium IUPAC Name: (5-bromo-2-methoxyphenyl)methyl-[2-(pyridine-3-carbonylamino)ethyl]azanium Traditional Name: (5-bromo-2-methoxy-benzyl)-(2-nicotinamidoethyl)ammonium Formula: C16H19BrN3O2+ MolecularWeight: 365.24496

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C[NH2+]CCNC(=O)C2=CN=CC=C2

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C[NH2+]CCNC(=O)C2=CN=CC=C2

InChI

InChI=1S/C16H18BrN3O2/c1-22-15-5-4-14(17)9-13(15)11-19-7-8-20-16(21)12-3-2-6-18-10-12/h2-6,9-10,19H,7-8,11H2,1H3,(H,20,21)/p+1