[2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate

Systemtic Name: [2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate Openeye Name: [2-(o-tolylmethylamino)-2-oxo-ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate CAS Name: 4-(4-morpholin-4-iumylmethyl)benzoic acid [2-[(2-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate Traditional Name: 4-(morpholin-4-ium-4-ylmethyl)benzoic acid [2-keto-2-[(2-methylbenzyl)amino]ethyl] ester Formula: C22H27N2O4+ MolecularWeight: 383.46078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)COC(=O)C2=CC=C(C=C2)C[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)COC(=O)C2=CC=C(C=C2)C[NH+]3CCOCC3

InChI

InChI=1S/C22H26N2O4/c1-17-4-2-3-5-20(17)14-23-21(25)16-28-22(26)19-8-6-18(7-9-19)15-24-10-12-27-13-11-24/h2-9H,10-16H2,1H3,(H,23,25)/p+1