(2S)-N-(3-methylphenyl)-2-morpholin-4-ium-4-yl-2-(3-nitrophenyl)ethanamide

Systemtic Name: (2S)-N-(3-methylphenyl)-2-morpholin-4-ium-4-yl-2-(3-nitrophenyl)ethanamide Openeye Name: (2S)-2-morpholin-4-ium-4-yl-N-(m-tolyl)-2-(3-nitrophenyl)acetamide CAS Name: (2S)-N-(3-methylphenyl)-2-(4-morpholin-4-iumyl)-2-(3-nitrophenyl)acetamide IUPAC Name: (2S)-N-(3-methylphenyl)-2-morpholin-4-ium-4-yl-2-(3-nitrophenyl)acetamide Traditional Name: (2S)-2-morpholin-4-ium-4-yl-N-(m-tolyl)-2-(3-nitrophenyl)acetamide Formula: C19H22N3O4+ MolecularWeight: 356.39568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4/c1-14-4-2-6-16(12-14)20-19(23)18(21-8-10-26-11-9-21)15-5-3-7-17(13-15)22(24)25/h2-7,12-13,18H,8-11H2,1H3,(H,20,23)/p+1/t18-/m0/s1