[3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl-propyl-azanium

Systemtic Name: [3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl-propyl-azanium Openeye Name: [3-bromo-5-methoxy-4-(3-pyridylmethoxy)phenyl]methyl-propyl-ammonium CAS Name: [3-bromo-5-methoxy-4-(3-pyridinylmethoxy)phenyl]methyl-propylammonium IUPAC Name: [3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl-propylazanium Traditional Name: [3-bromo-5-methoxy-4-(3-pyridylmethoxy)benzyl]-propyl-ammonium Formula: C17H22BrN2O2+ MolecularWeight: 366.27278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21BrN2O2/c1-3-6-19-11-14-8-15(18)17(16(9-14)21-2)22-12-13-5-4-7-20-10-13/h4-5,7-10,19H,3,6,11-12H2,1-2H3/p+1