[1-[(5-bromanyl-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]-ethyl-(phenylmethyl)azanium

Systemtic Name: [1-[(5-bromanyl-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]-ethyl-(phenylmethyl)azanium Openeye Name: benzyl-[1-[(5-bromo-2-hydroxy-phenyl)methyl]piperidin-1-ium-4-yl]-ethyl-ammonium CAS Name: [1-[(5-bromo-2-hydroxyphenyl)methyl]-4-piperidin-1-iumyl]-ethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[1-[(5-bromo-2-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]-ethylazanium Traditional Name: benzyl-[1-(5-bromo-2-hydroxy-benzyl)piperidin-1-ium-4-yl]-ethyl-ammonium Formula: C21H29BrN2O+2 MolecularWeight: 405.37176

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)C2CC[NH+](CC2)CC3=C(C=CC(=C3)Br)O

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)C2CC[NH+](CC2)CC3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C21H27BrN2O/c1-2-24(15-17-6-4-3-5-7-17)20-10-12-23(13-11-20)16-18-14-19(22)8-9-21(18)25/h3-9,14,20,25H,2,10-13,15-16H2,1H3/p+2