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

Systemtic Name: 1-[3-oxidanylidene-3-(phenethylamino)propyl]pyridin-1-ium-3-carboxamide bromide Openeye Name: 1-[3-oxo-3-(phenethylamino)propyl]pyridin-1-ium-3-carboxamide bromide CAS Name: 1-[3-oxo-3-(phenethylamino)propyl]-3-pyridin-1-iumcarboxamide bromide IUPAC Name: 1-[3-oxo-3-(phenethylamino)propyl]pyridin-1-ium-3-carboxamide bromide Traditional Name: 1-[3-keto-3-(phenethylamino)propyl]pyridin-1-ium-3-carboxamide bromide Formula: C17H20BrN3O2 MolecularWeight: 378.2636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O2.BrH/c18-17(22)15-7-4-11-20(13-15)12-9-16(21)19-10-8-14-5-2-1-3-6-14;/h1-7,11,13H,8-10,12H2,(H2-,18,19,21,22);1H