methyl 4-[[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]carbamoyl]benzoate Openeye Name: methyl 4-[[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]carbamoyl]benzoate CAS Name: 4-[[[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]carbamoyl]benzoate Traditional Name: 4-[[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]carbamoyl]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)C(=O)NC(C[NH+]2CCOCC2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)N[C@H](C[NH+]2CCOCC2)C3=CC=CC=C3

InChI

InChI=1S/C21H24N2O4/c1-26-21(25)18-9-7-17(8-10-18)20(24)22-19(16-5-3-2-4-6-16)15-23-11-13-27-14-12-23/h2-10,19H,11-15H2,1H3,(H,22,24)/p+1/t19-/m1/s1