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

Systemtic Name: N-[(2R)-2-(4-ethoxy-3-methoxy-phenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-methyl-2-nitro-benzamide Openeye Name: N-[(2R)-2-(4-ethoxy-3-methoxy-phenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-methyl-2-nitro-benzamide CAS Name: N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]-3-methyl-2-nitrobenzamide IUPAC Name: N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]-3-methyl-2-nitrobenzamide Traditional Name: N-[(2R)-2-(4-ethoxy-3-methoxy-phenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-methyl-2-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=C(C(=CC=C2)C)[N+](=O)[O-])[NH+]3CCOCC3)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O6/c1-4-32-20-9-8-17(14-21(20)30-3)19(25-10-12-31-13-11-25)15-24-23(27)18-7-5-6-16(2)22(18)26(28)29/h5-9,14,19H,4,10-13,15H2,1-3H3,(H,24,27)/p+1/t19-/m0/s1