(5-bromanyl-2,4-dimethoxy-phenyl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium

Systemtic Name: (5-bromanyl-2,4-dimethoxy-phenyl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Openeye Name: (5-bromo-2,4-dimethoxy-phenyl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: (5-bromo-2,4-dimethoxyphenyl)methyl-methyl-(1-methyl-4-piperidin-1-iumyl)ammonium IUPAC Name: (5-bromo-2,4-dimethoxyphenyl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Traditional Name: (5-bromo-2,4-dimethoxy-benzyl)-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C16H27BrN2O2+2 MolecularWeight: 359.30178

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+](C)CC2=CC(=C(C=C2OC)OC)Br

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+](C)CC2=CC(=C(C=C2OC)OC)Br

InChI

InChI=1S/C16H25BrN2O2/c1-18-7-5-13(6-8-18)19(2)11-12-9-14(17)16(21-4)10-15(12)20-3/h9-10,13H,5-8,11H2,1-4H3/p+2