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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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