[3-bromanyl-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]methyl-methyl-azanium

Systemtic Name: [3-bromanyl-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]methyl-methyl-azanium Openeye Name: [3-bromo-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]methyl-methyl-ammonium CAS Name: [3-bromo-4-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]methyl-methylammonium IUPAC Name: [3-bromo-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]methyl-methylazanium Traditional Name: [3-bromo-4-(2-piperidin-1-ium-1-ylethoxy)benzyl]-methyl-ammonium Formula: C15H25BrN2O+2 MolecularWeight: 329.2758

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CC1=CC(=C(C=C1)OCC[NH+]2CCCCC2)Br

Isomeric SMILES

C[NH2+]CC1=CC(=C(C=C1)OCC[NH+]2CCCCC2)Br

InChI

InChI=1S/C15H23BrN2O/c1-17-12-13-5-6-15(14(16)11-13)19-10-9-18-7-3-2-4-8-18/h5-6,11,17H,2-4,7-10,12H2,1H3/p+2