1-[2-oxidanylidene-2-(phenethylamino)ethyl]pyridin-1-ium-3-carboxamide bromide

Systemtic Name: 1-[2-oxidanylidene-2-(phenethylamino)ethyl]pyridin-1-ium-3-carboxamide bromide Openeye Name: 1-[2-oxo-2-(phenethylamino)ethyl]pyridin-1-ium-3-carboxamide bromide CAS Name: 1-[2-oxo-2-(phenethylamino)ethyl]-3-pyridin-1-iumcarboxamide bromide IUPAC Name: 1-[2-oxo-2-(phenethylamino)ethyl]pyridin-1-ium-3-carboxamide bromide Traditional Name: 1-[2-keto-2-(phenethylamino)ethyl]pyridin-1-ium-3-carboxamide bromide Formula: C16H18BrN3O2 MolecularWeight: 364.23702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C[N+]2=CC=CC(=C2)C(=O)N.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)C[N+]2=CC=CC(=C2)C(=O)N.[Br-]

InChI

InChI=1S/C16H17N3O2.BrH/c17-16(21)14-7-4-10-19(11-14)12-15(20)18-9-8-13-5-2-1-3-6-13;/h1-7,10-11H,8-9,12H2,(H2-,17,18,20,21);1H