methyl (2R)-2-[[1-[(4-bromophenyl)methyl]piperidin-1-ium-4-yl]carbonylamino]-2-phenyl-ethanoate

Systemtic Name: methyl (2R)-2-[[1-[(4-bromophenyl)methyl]piperidin-1-ium-4-yl]carbonylamino]-2-phenyl-ethanoate Openeye Name: methyl (2R)-2-[[1-[(4-bromophenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-2-phenyl-acetate CAS Name: (2R)-2-[[[1-[(4-bromophenyl)methyl]-4-piperidin-1-iumyl]-oxomethyl]amino]-2-phenylacetic acid methyl ester IUPAC Name: methyl (2R)-2-[[1-[(4-bromophenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-2-phenylacetate Traditional Name: (2R)-2-[[1-(4-bromobenzyl)piperidin-1-ium-4-carbonyl]amino]-2-phenyl-acetic acid methyl ester Formula: C22H26BrN2O3+ MolecularWeight: 446.35744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)[C@@H](C1=CC=CC=C1)NC(=O)C2CC[NH+](CC2)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C22H25BrN2O3/c1-28-22(27)20(17-5-3-2-4-6-17)24-21(26)18-11-13-25(14-12-18)15-16-7-9-19(23)10-8-16/h2-10,18,20H,11-15H2,1H3,(H,24,26)/p+1/t20-/m1/s1