N-(4-acetamidophenyl)-2-[(3S)-2-oxidanylidene-4-(phenylmethyl)morpholin-4-ium-3-yl]ethanamide

Systemtic Name: N-(4-acetamidophenyl)-2-[(3S)-2-oxidanylidene-4-(phenylmethyl)morpholin-4-ium-3-yl]ethanamide Openeye Name: N-(4-acetamidophenyl)-2-[(3S)-4-benzyl-2-oxo-morpholin-4-ium-3-yl]acetamide CAS Name: N-(4-acetamidophenyl)-2-[(3S)-2-oxo-4-(phenylmethyl)-3-morpholin-4-iumyl]acetamide IUPAC Name: N-(4-acetamidophenyl)-2-[(3S)-4-benzyl-2-oxomorpholin-4-ium-3-yl]acetamide Traditional Name: N-(4-acetamidophenyl)-2-[(3S)-4-benzyl-2-keto-morpholin-4-ium-3-yl]acetamide Formula: C21H24N3O4+ MolecularWeight: 382.43296

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)CC2C(=O)OCC[NH+]2CC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)C[C@H]2C(=O)OCC[NH+]2CC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O4/c1-15(25)22-17-7-9-18(10-8-17)23-20(26)13-19-21(27)28-12-11-24(19)14-16-5-3-2-4-6-16/h2-10,19H,11-14H2,1H3,(H,22,25)(H,23,26)/p+1/t19-/m0/s1