(4-bromophenyl)methyl-[2-(pyridin-3-ylcarbonylamino)ethyl]azanium

Systemtic Name: (4-bromophenyl)methyl-[2-(pyridin-3-ylcarbonylamino)ethyl]azanium Openeye Name: (4-bromophenyl)methyl-[2-(pyridine-3-carbonylamino)ethyl]ammonium CAS Name: (4-bromophenyl)methyl-[2-[[oxo(3-pyridinyl)methyl]amino]ethyl]ammonium IUPAC Name: (4-bromophenyl)methyl-[2-(pyridine-3-carbonylamino)ethyl]azanium Traditional Name: (4-bromobenzyl)-(2-nicotinamidoethyl)ammonium Formula: C15H17BrN3O+ MolecularWeight: 335.21898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16BrN3O/c16-14-5-3-12(4-6-14)10-18-8-9-19-15(20)13-2-1-7-17-11-13/h1-7,11,18H,8-10H2,(H,19,20)/p+1