(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-[(1R)-1-pyridin-3-ylethyl]azanium

Systemtic Name: (3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-[(1R)-1-pyridin-3-ylethyl]azanium Openeye Name: (3-bromo-4-hydroxy-5-methoxy-phenyl)methyl-[(1R)-1-(3-pyridyl)ethyl]ammonium CAS Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-[(1R)-1-(3-pyridinyl)ethyl]ammonium IUPAC Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-[(1R)-1-pyridin-3-ylethyl]azanium Traditional Name: (3-bromo-4-hydroxy-5-methoxy-benzyl)-[(1R)-1-(3-pyridyl)ethyl]ammonium Formula: C15H18BrN2O2+ MolecularWeight: 338.21962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN=CC=C1)[NH2+]CC2=CC(=C(C(=C2)Br)O)OC

Isomeric SMILES

C[C@H](C1=CN=CC=C1)[NH2+]CC2=CC(=C(C(=C2)Br)O)OC

InChI

InChI=1S/C15H17BrN2O2/c1-10(12-4-3-5-17-9-12)18-8-11-6-13(16)15(19)14(7-11)20-2/h3-7,9-10,18-19H,8H2,1-2H3/p+1/t10-/m1/s1