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

Systemtic Name: (3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Openeye Name: (3-bromo-4-hydroxy-5-methoxy-phenyl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-methyl-(1-methyl-4-piperidin-1-iumyl)ammonium IUPAC Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Traditional Name: (3-bromo-4-hydroxy-5-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(=C(C(=C2)Br)O)OC

Isomeric SMILES

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

InChI

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