1-(5-bromanyl-3-methyl-2-oxidanyl-phenyl)-3-(1-methylpyrrolidin-1-ium-1-yl)propan-1-one

Systemtic Name: 1-(5-bromanyl-3-methyl-2-oxidanyl-phenyl)-3-(1-methylpyrrolidin-1-ium-1-yl)propan-1-one Openeye Name: 1-(5-bromo-2-hydroxy-3-methyl-phenyl)-3-(1-methylpyrrolidin-1-ium-1-yl)propan-1-one CAS Name: 1-(5-bromo-2-hydroxy-3-methylphenyl)-3-(1-methyl-1-pyrrolidin-1-iumyl)-1-propanone IUPAC Name: 1-(5-bromo-2-hydroxy-3-methylphenyl)-3-(1-methylpyrrolidin-1-ium-1-yl)propan-1-one Traditional Name: 1-(5-bromo-2-hydroxy-3-methyl-phenyl)-3-(1-methylpyrrolidin-1-ium-1-yl)propan-1-one Formula: C15H21BrNO2+ MolecularWeight: 327.23674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)CC[N+]2(CCCC2)C)O

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)CC[N+]2(CCCC2)C)O

InChI

InChI=1S/C15H20BrNO2/c1-11-9-12(16)10-13(15(11)19)14(18)5-8-17(2)6-3-4-7-17/h9-10H,3-8H2,1-2H3/p+1