(3-bromanyl-4-methoxy-phenyl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium

Systemtic Name: (3-bromanyl-4-methoxy-phenyl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Openeye Name: (3-bromo-4-methoxy-phenyl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: (3-bromo-4-methoxyphenyl)methyl-methyl-(1-methyl-4-piperidin-1-iumyl)ammonium IUPAC Name: (3-bromo-4-methoxyphenyl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Traditional Name: (3-bromo-4-methoxy-benzyl)-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C15H25BrN2O+2 MolecularWeight: 329.2758

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+](C)CC2=CC(=C(C=C2)OC)Br

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+](C)CC2=CC(=C(C=C2)OC)Br

InChI

InChI=1S/C15H23BrN2O/c1-17-8-6-13(7-9-17)18(2)11-12-4-5-15(19-3)14(16)10-12/h4-5,10,13H,6-9,11H2,1-3H3/p+2