[5-bromanyl-2-(pyridin-3-ylmethoxy)phenyl]methyl-butyl-azanium

Systemtic Name: [5-bromanyl-2-(pyridin-3-ylmethoxy)phenyl]methyl-butyl-azanium Openeye Name: [5-bromo-2-(3-pyridylmethoxy)phenyl]methyl-butyl-ammonium CAS Name: [5-bromo-2-(3-pyridinylmethoxy)phenyl]methyl-butylammonium IUPAC Name: [5-bromo-2-(pyridin-3-ylmethoxy)phenyl]methyl-butylazanium Traditional Name: [5-bromo-2-(3-pyridylmethoxy)benzyl]-butyl-ammonium Formula: C17H22BrN2O+ MolecularWeight: 350.27338

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH2+]CC1=C(C=CC(=C1)Br)OCC2=CN=CC=C2

Isomeric SMILES

CCCC[NH2+]CC1=C(C=CC(=C1)Br)OCC2=CN=CC=C2

InChI

InChI=1S/C17H21BrN2O/c1-2-3-8-20-12-15-10-16(18)6-7-17(15)21-13-14-5-4-9-19-11-14/h4-7,9-11,20H,2-3,8,12-13H2,1H3/p+1