[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl]-(pyridin-3-ylmethyl)azanium

Systemtic Name: [2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl]-(pyridin-3-ylmethyl)azanium Openeye Name: [2-(3-bromoanilino)-2-oxo-ethyl]-(3-pyridylmethyl)ammonium CAS Name: [2-(3-bromoanilino)-2-oxoethyl]-(3-pyridinylmethyl)ammonium IUPAC Name: [2-(3-bromoanilino)-2-oxoethyl]-(pyridin-3-ylmethyl)azanium Traditional Name: [2-(3-bromoanilino)-2-keto-ethyl]-(3-pyridylmethyl)ammonium Formula: C14H15BrN3O+ MolecularWeight: 321.1924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14BrN3O/c15-12-4-1-5-13(7-12)18-14(19)10-17-9-11-3-2-6-16-8-11/h1-8,17H,9-10H2,(H,18,19)/p+1