2-(5-bromanyl-2-phenylmethoxy-phenyl)ethyl-(methylamino)-(phenylcarbonyl)-pyridin-3-yl-azanium

Systemtic Name: 2-(5-bromanyl-2-phenylmethoxy-phenyl)ethyl-(methylamino)-(phenylcarbonyl)-pyridin-3-yl-azanium Openeye Name: benzoyl-[2-(2-benzyloxy-5-bromo-phenyl)ethyl]-(methylamino)-(3-pyridyl)ammonium CAS Name: benzoyl-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]-(methylamino)-(3-pyridinyl)ammonium IUPAC Name: benzoyl-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]-(methylamino)-pyridin-3-ylazanium Traditional Name: 2-(2-benzoxy-5-bromo-phenyl)ethyl-benzoyl-(methylamino)-(3-pyridyl)ammonium Formula: C28H27BrN3O2+ MolecularWeight: 517.43688

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Descriptors Computed from Structure

Canonical SMILES:

CN[N+](CCC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)(C3=CN=CC=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CN[N+](CCC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)(C3=CN=CC=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H27BrN3O2/c1-30-32(26-13-8-17-31-20-26,28(33)23-11-6-3-7-12-23)18-16-24-19-25(29)14-15-27(24)34-21-22-9-4-2-5-10-22/h2-15,17,19-20,30H,16,18,21H2,1H3/q+1