(5-bromanyl-3-methoxy-2-oxidanyl-phenyl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium

Systemtic Name: (5-bromanyl-3-methoxy-2-oxidanyl-phenyl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Openeye Name: (5-bromo-2-hydroxy-3-methoxy-phenyl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: (5-bromo-2-hydroxy-3-methoxyphenyl)methyl-methyl-(1-methyl-4-piperidin-1-iumyl)ammonium IUPAC Name: (5-bromo-2-hydroxy-3-methoxyphenyl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Traditional Name: (5-bromo-2-hydroxy-3-methoxy-benzyl)-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C15H25BrN2O2+2 MolecularWeight: 345.2752

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+](C)CC2=CC(=CC(=C2O)OC)Br

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+](C)CC2=CC(=CC(=C2O)OC)Br

InChI

InChI=1S/C15H23BrN2O2/c1-17-6-4-13(5-7-17)18(2)10-11-8-12(16)9-14(20-3)15(11)19/h8-9,13,19H,4-7,10H2,1-3H3/p+2