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

Systemtic Name: methyl (2R)-2-[[1-[(3-bromanyl-4-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]carbonylamino]-4-methyl-pentanoate Openeye Name: methyl (2R)-2-[[1-[(3-bromo-4-methoxy-phenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-4-methyl-pentanoate CAS Name: (2R)-2-[[[1-[(3-bromo-4-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-oxomethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[1-[(3-bromo-4-methoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-4-methylpentanoate Traditional Name: (2R)-2-[[1-(3-bromo-4-methoxy-benzyl)piperidin-1-ium-4-carbonyl]amino]-4-methyl-valeric acid methyl ester Formula: C21H32BrN2O4+ MolecularWeight: 456.39378

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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)OC)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H31BrN2O4/c1-14(2)11-18(21(26)28-4)23-20(25)16-7-9-24(10-8-16)13-15-5-6-19(27-3)17(22)12-15/h5-6,12,14,16,18H,7-11,13H2,1-4H3,(H,23,25)/p+1/t18-/m1/s1