(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-(3-piperidin-1-ium-1-ylpropyl)azanium

Systemtic Name: (3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-(3-piperidin-1-ium-1-ylpropyl)azanium Openeye Name: (3-bromo-4-hydroxy-5-methoxy-phenyl)methyl-(3-piperidin-1-ium-1-ylpropyl)ammonium CAS Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-[3-(1-piperidin-1-iumyl)propyl]ammonium IUPAC Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-(3-piperidin-1-ium-1-ylpropyl)azanium Traditional Name: (3-bromo-4-hydroxy-5-methoxy-benzyl)-(3-piperidin-1-ium-1-ylpropyl)ammonium Formula: C16H27BrN2O2+2 MolecularWeight: 359.30178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CCC[NH+]2CCCCC2)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CCC[NH+]2CCCCC2)Br)O

InChI

InChI=1S/C16H25BrN2O2/c1-21-15-11-13(10-14(17)16(15)20)12-18-6-5-9-19-7-3-2-4-8-19/h10-11,18,20H,2-9,12H2,1H3/p+2