1-(4-bromanyl-2-oxidanyl-phenoxy)-4-piperidin-1-ium-1-yl-butan-2-one

Systemtic Name: 1-(4-bromanyl-2-oxidanyl-phenoxy)-4-piperidin-1-ium-1-yl-butan-2-one Openeye Name: 1-(4-bromo-2-hydroxy-phenoxy)-4-piperidin-1-ium-1-yl-butan-2-one CAS Name: 1-(4-bromo-2-hydroxyphenoxy)-4-(1-piperidin-1-iumyl)-2-butanone IUPAC Name: 1-(4-bromo-2-hydroxyphenoxy)-4-piperidin-1-ium-1-ylbutan-2-one Traditional Name: 1-(4-bromo-2-hydroxy-phenoxy)-4-piperidin-1-ium-1-yl-butan-2-one Formula: C15H21BrNO3+ MolecularWeight: 343.23614

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCC(=O)COC2=C(C=C(C=C2)Br)O

Isomeric SMILES

C1CC[NH+](CC1)CCC(=O)COC2=C(C=C(C=C2)Br)O

InChI

InChI=1S/C15H20BrNO3/c16-12-4-5-15(14(19)10-12)20-11-13(18)6-9-17-7-2-1-3-8-17/h4-5,10,19H,1-3,6-9,11H2/p+1