N-(3,5-dimethoxyphenyl)-2-[(3S)-2-oxidanylidene-4-(phenylmethyl)morpholin-4-ium-3-yl]ethanamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-2-[(3S)-2-oxidanylidene-4-(phenylmethyl)morpholin-4-ium-3-yl]ethanamide Openeye Name: 2-[(3S)-4-benzyl-2-oxo-morpholin-4-ium-3-yl]-N-(3,5-dimethoxyphenyl)acetamide CAS Name: N-(3,5-dimethoxyphenyl)-2-[(3S)-2-oxo-4-(phenylmethyl)-3-morpholin-4-iumyl]acetamide IUPAC Name: 2-[(3S)-4-benzyl-2-oxomorpholin-4-ium-3-yl]-N-(3,5-dimethoxyphenyl)acetamide Traditional Name: 2-[(3S)-4-benzyl-2-keto-morpholin-4-ium-3-yl]-N-(3,5-dimethoxyphenyl)acetamide Formula: C21H25N2O5+ MolecularWeight: 385.4336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)CC2C(=O)OCC[NH+]2CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)C[C@H]2C(=O)OCC[NH+]2CC3=CC=CC=C3)OC

InChI

InChI=1S/C21H24N2O5/c1-26-17-10-16(11-18(12-17)27-2)22-20(24)13-19-21(25)28-9-8-23(19)14-15-6-4-3-5-7-15/h3-7,10-12,19H,8-9,13-14H2,1-2H3,(H,22,24)/p+1/t19-/m0/s1