N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-[(3-nitrophenyl)amino]ethanamide

Systemtic Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-[(3-nitrophenyl)amino]ethanamide Openeye Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-(3-nitroanilino)acetamide CAS Name: N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]-2-(3-nitroanilino)acetamide IUPAC Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-(3-nitroanilino)acetamide Traditional Name: N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]-2-(3-nitroanilino)acetamide Formula: C20H25N4O4+ MolecularWeight: 385.4369

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=CC=C2CNC(=O)CNC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CC2=CC=CC=C2CNC(=O)CNC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O4/c25-20(14-21-18-6-3-7-19(12-18)24(26)27)22-13-16-4-1-2-5-17(16)15-23-8-10-28-11-9-23/h1-7,12,21H,8-11,13-15H2,(H,22,25)/p+1