[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate

Systemtic Name: [2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate Openeye Name: (2-indolin-1-yl-2-oxo-ethyl) 4-(morpholin-4-ium-4-ylmethyl)benzoate CAS Name: 4-(4-morpholin-4-iumylmethyl)benzoic acid [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate Traditional Name: 4-(morpholin-4-ium-4-ylmethyl)benzoic acid (2-indolin-1-yl-2-keto-ethyl) ester Formula: C22H25N2O4+ MolecularWeight: 381.4449

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)C(=O)COC(=O)C3=CC=C(C=C3)C[NH+]4CCOCC4

Isomeric SMILES

C1CN(C2=CC=CC=C21)C(=O)COC(=O)C3=CC=C(C=C3)C[NH+]4CCOCC4

InChI

InChI=1S/C22H24N2O4/c25-21(24-10-9-18-3-1-2-4-20(18)24)16-28-22(26)19-7-5-17(6-8-19)15-23-11-13-27-14-12-23/h1-8H,9-16H2/p+1