4-ethoxy-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-nitro-benzamide

Systemtic Name: 4-ethoxy-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-nitro-benzamide Openeye Name: 4-ethoxy-N-[(1S)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]-3-nitro-benzamide CAS Name: 4-ethoxy-N-[(1S)-1-(4-methylphenyl)-2-(4-morpholin-4-iumyl)ethyl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-3-nitrobenzamide Traditional Name: 4-ethoxy-N-[(1S)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]-3-nitro-benzamide Formula: C22H28N3O5+ MolecularWeight: 414.47482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(C[NH+]2CCOCC2)C3=CC=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N[C@H](C[NH+]2CCOCC2)C3=CC=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O5/c1-3-30-21-9-8-18(14-20(21)25(27)28)22(26)23-19(15-24-10-12-29-13-11-24)17-6-4-16(2)5-7-17/h4-9,14,19H,3,10-13,15H2,1-2H3,(H,23,26)/p+1/t19-/m1/s1