[(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(morpholin-4-ium-4-ylmethyl)benzoate

Systemtic Name: [(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(morpholin-4-ium-4-ylmethyl)benzoate Openeye Name: [(1S)-1-methyl-2-(3-methylanilino)-2-oxo-ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate CAS Name: 4-(4-morpholin-4-iumylmethyl)benzoic acid [(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] 4-(morpholin-4-ium-4-ylmethyl)benzoate Traditional Name: 4-(morpholin-4-ium-4-ylmethyl)benzoic acid [(1S)-2-keto-1-methyl-2-(m-toluidino)ethyl] ester Formula: C22H27N2O4+ MolecularWeight: 383.46078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)C[NH+]3CCOCC3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@H](C)OC(=O)C2=CC=C(C=C2)C[NH+]3CCOCC3

InChI

InChI=1S/C22H26N2O4/c1-16-4-3-5-20(14-16)23-21(25)17(2)28-22(26)19-8-6-18(7-9-19)15-24-10-12-27-13-11-24/h3-9,14,17H,10-13,15H2,1-2H3,(H,23,25)/p+1/t17-/m0/s1