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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CCC[NH+]2CCCC2)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CCC[NH+]2CCCC2)Br)O

InChI

InChI=1S/C15H23BrN2O2/c1-20-14-10-12(9-13(16)15(14)19)11-17-5-4-8-18-6-2-3-7-18/h9-10,17,19H,2-8,11H2,1H3/p+2