methyl 4-[[4-(4-bromophenyl)-4-oxidanyl-piperidin-1-ium-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-(4-bromophenyl)-4-oxidanyl-piperidin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(4-bromophenyl)-4-hydroxy-piperidin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[4-(4-bromophenyl)-4-hydroxy-1-piperidin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(4-bromophenyl)-4-hydroxypiperidin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[4-(4-bromophenyl)-4-hydroxy-piperidin-1-ium-1-yl]methyl]benzoic acid methyl ester Formula: C20H23BrNO3+ MolecularWeight: 405.30552

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C[NH+]2CCC(CC2)(C3=CC=C(C=C3)Br)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C[NH+]2CCC(CC2)(C3=CC=C(C=C3)Br)O

InChI

InChI=1S/C20H22BrNO3/c1-25-19(23)16-4-2-15(3-5-16)14-22-12-10-20(24,11-13-22)17-6-8-18(21)9-7-17/h2-9,24H,10-14H2,1H3/p+1