[3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl-prop-2-enyl-azanium

Systemtic Name: [3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl-prop-2-enyl-azanium Openeye Name: allyl-[[3-bromo-5-methoxy-4-(3-pyridylmethoxy)phenyl]methyl]ammonium CAS Name: [3-bromo-5-methoxy-4-(3-pyridinylmethoxy)phenyl]methyl-prop-2-enylammonium IUPAC Name: [3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl-prop-2-enylazanium Traditional Name: allyl-[3-bromo-5-methoxy-4-(3-pyridylmethoxy)benzyl]ammonium Formula: C17H20BrN2O2+ MolecularWeight: 364.2569

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CC=C)Br)OCC2=CN=CC=C2

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CC=C)Br)OCC2=CN=CC=C2

InChI

InChI=1S/C17H19BrN2O2/c1-3-6-19-11-14-8-15(18)17(16(9-14)21-2)22-12-13-5-4-7-20-10-13/h3-5,7-10,19H,1,6,11-12H2,2H3/p+1