[3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl-tert-butyl-azanium chloride

Systemtic Name: [3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl-tert-butyl-azanium chloride Openeye Name: [3-bromo-5-methoxy-4-(3-pyridylmethoxy)phenyl]methyl-tert-butyl-ammonium chloride CAS Name: [3-bromo-5-methoxy-4-(3-pyridinylmethoxy)phenyl]methyl-tert-butylammonium chloride IUPAC Name: [3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl-tert-butylazanium chloride Traditional Name: [3-bromo-5-methoxy-4-(3-pyridylmethoxy)benzyl]-tert-butyl-ammonium chloride Formula: C18H24BrClN2O2 MolecularWeight: 415.75236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH2+]CC1=CC(=C(C(=C1)Br)OCC2=CN=CC=C2)OC.[Cl-]

Isomeric SMILES

CC(C)(C)[NH2+]CC1=CC(=C(C(=C1)Br)OCC2=CN=CC=C2)OC.[Cl-]

InChI

InChI=1S/C18H23BrN2O2.ClH/c1-18(2,3)21-11-14-8-15(19)17(16(9-14)22-4)23-12-13-6-5-7-20-10-13;/h5-10,21H,11-12H2,1-4H3;1H