N-[(2R)-2-(4-ethoxy-3-methoxy-phenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[(2R)-2-(4-ethoxy-3-methoxy-phenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[(2R)-2-(4-ethoxy-3-methoxy-phenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-methyl-3-nitro-benzamide CAS Name: N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[(2R)-2-(4-ethoxy-3-methoxy-phenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-methyl-3-nitro-benzamide Formula: C23H30N3O6+ MolecularWeight: 444.5008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(CNC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])[NH+]3CCOCC3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)[C@H](CNC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])[NH+]3CCOCC3)OC

InChI

InChI=1S/C23H29N3O6/c1-4-32-21-8-7-17(14-22(21)30-3)20(25-9-11-31-12-10-25)15-24-23(27)18-6-5-16(2)19(13-18)26(28)29/h5-8,13-14,20H,4,9-12,15H2,1-3H3,(H,24,27)/p+1/t20-/m0/s1