(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-ethyl-(pyridin-4-ylmethyl)azanium

Systemtic Name: (3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-ethyl-(pyridin-4-ylmethyl)azanium Openeye Name: (3-bromo-4-hydroxy-5-methoxy-phenyl)methyl-ethyl-(4-pyridylmethyl)ammonium CAS Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-ethyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-ethyl-(pyridin-4-ylmethyl)azanium Traditional Name: (3-bromo-4-hydroxy-5-methoxy-benzyl)-ethyl-(4-pyridylmethyl)ammonium Formula: C16H20BrN2O2+ MolecularWeight: 352.2462

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=NC=C1)CC2=CC(=C(C(=C2)Br)O)OC

Isomeric SMILES

CC[NH+](CC1=CC=NC=C1)CC2=CC(=C(C(=C2)Br)O)OC

InChI

InChI=1S/C16H19BrN2O2/c1-3-19(10-12-4-6-18-7-5-12)11-13-8-14(17)16(20)15(9-13)21-2/h4-9,20H,3,10-11H2,1-2H3/p+1