methyl (2R)-2-[[1-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]carbonylamino]-4-methyl-pentanoate

Systemtic Name: methyl (2R)-2-[[1-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]carbonylamino]-4-methyl-pentanoate Openeye Name: methyl (2R)-2-[[1-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-4-methyl-pentanoate CAS Name: (2R)-2-[[[1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-oxomethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-4-methylpentanoate Traditional Name: (2R)-2-[[1-(3-bromo-4-hydroxy-5-methoxy-benzyl)piperidin-1-ium-4-carbonyl]amino]-4-methyl-valeric acid methyl ester Formula: C21H32BrN2O5+ MolecularWeight: 472.39318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C1CC[NH+](CC1)CC2=CC(=C(C(=C2)Br)O)OC

Isomeric SMILES

CC(C)C[C@H](C(=O)OC)NC(=O)C1CC[NH+](CC1)CC2=CC(=C(C(=C2)Br)O)OC

InChI

InChI=1S/C21H31BrN2O5/c1-13(2)9-17(21(27)29-4)23-20(26)15-5-7-24(8-6-15)12-14-10-16(22)19(25)18(11-14)28-3/h10-11,13,15,17,25H,5-9,12H2,1-4H3,(H,23,26)/p+1/t17-/m1/s1