methyl 4-[2-(4-oxidanyl-4-phenyl-piperidin-1-ium-1-yl)ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(4-oxidanyl-4-phenyl-piperidin-1-ium-1-yl)ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(4-hydroxy-4-phenyl-piperidin-1-ium-1-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(4-hydroxy-4-phenyl-1-piperidin-1-iumyl)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-hydroxy-4-phenylpiperidin-1-ium-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(4-hydroxy-4-phenyl-piperidin-1-ium-1-yl)acetyl]amino]benzoic acid methyl ester Formula: C21H25N2O4+ MolecularWeight: 369.4342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4/c1-27-20(25)16-7-9-18(10-8-16)22-19(24)15-23-13-11-21(26,12-14-23)17-5-3-2-4-6-17/h2-10,26H,11-15H2,1H3,(H,22,24)/p+1