1-[2-(4-acetamidophenoxy)ethyl]pyridin-1-ium-3-carboxamide bromide

Systemtic Name: 1-[2-(4-acetamidophenoxy)ethyl]pyridin-1-ium-3-carboxamide bromide Openeye Name: 1-[2-(4-acetamidophenoxy)ethyl]pyridin-1-ium-3-carboxamide bromide CAS Name: 1-[2-(4-acetamidophenoxy)ethyl]-3-pyridin-1-iumcarboxamide bromide IUPAC Name: 1-[2-(4-acetamidophenoxy)ethyl]pyridin-1-ium-3-carboxamide bromide Traditional Name: 1-[2-(4-acetamidophenoxy)ethyl]pyridin-1-ium-3-carboxamide bromide Formula: C16H18BrN3O3 MolecularWeight: 380.23642

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OCC[N+]2=CC=CC(=C2)C(=O)N.[Br-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OCC[N+]2=CC=CC(=C2)C(=O)N.[Br-]

InChI

InChI=1S/C16H17N3O3.BrH/c1-12(20)18-14-4-6-15(7-5-14)22-10-9-19-8-2-3-13(11-19)16(17)21;/h2-8,11H,9-10H2,1H3,(H2-,17,18,20,21);1H