N-[(2R)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-nitro-benzamide

Systemtic Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-nitro-benzamide Openeye Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-nitro-benzamide CAS Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-(4-morpholin-4-iumyl)ethyl]-3-nitrobenzamide IUPAC Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-ylethyl]-3-nitrobenzamide Traditional Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-nitro-benzamide Formula: C21H27N4O4+ MolecularWeight: 399.46348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O4/c1-23(2)18-8-6-16(7-9-18)20(24-10-12-29-13-11-24)15-22-21(26)17-4-3-5-19(14-17)25(27)28/h3-9,14,20H,10-13,15H2,1-2H3,(H,22,26)/p+1/t20-/m0/s1