(5-bromanyl-2-methoxy-phenyl)methyl-methyl-(2-pyridin-1-ium-2-ylethyl)azanium

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl-methyl-(2-pyridin-1-ium-2-ylethyl)azanium Openeye Name: (5-bromo-2-methoxy-phenyl)methyl-methyl-(2-pyridin-1-ium-2-ylethyl)ammonium CAS Name: (5-bromo-2-methoxyphenyl)methyl-methyl-[2-(2-pyridin-1-iumyl)ethyl]ammonium IUPAC Name: (5-bromo-2-methoxyphenyl)methyl-methyl-(2-pyridin-1-ium-2-ylethyl)azanium Traditional Name: (5-bromo-2-methoxy-benzyl)-methyl-(2-pyridin-1-ium-2-ylethyl)ammonium Formula: C16H21BrN2O+2 MolecularWeight: 337.25474

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=[NH+]1)CC2=C(C=CC(=C2)Br)OC

Isomeric SMILES

C[NH+](CCC1=CC=CC=[NH+]1)CC2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C16H19BrN2O/c1-19(10-8-15-5-3-4-9-18-15)12-13-11-14(17)6-7-16(13)20-2/h3-7,9,11H,8,10,12H2,1-2H3/p+2