1-[4-[[(2R)-2-(4-ethoxy-3-methoxy-phenyl)-2-morpholin-4-ium-4-yl-ethyl]amino]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[[(2R)-2-(4-ethoxy-3-methoxy-phenyl)-2-morpholin-4-ium-4-yl-ethyl]amino]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[[(2R)-2-(4-ethoxy-3-methoxy-phenyl)-2-morpholin-4-ium-4-yl-ethyl]amino]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]amino]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]amino]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[[(2R)-2-(4-ethoxy-3-methoxy-phenyl)-2-morpholin-4-ium-4-yl-ethyl]amino]-3-nitro-phenyl]ethanone Formula: C23H30N3O6+ MolecularWeight: 444.5008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(CNC2=C(C=C(C=C2)C(=O)C)[N+](=O)[O-])[NH+]3CCOCC3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)[C@H](CNC2=C(C=C(C=C2)C(=O)C)[N+](=O)[O-])[NH+]3CCOCC3)OC

InChI

InChI=1S/C23H29N3O6/c1-4-32-22-8-6-18(14-23(22)30-3)21(25-9-11-31-12-10-25)15-24-19-7-5-17(16(2)27)13-20(19)26(28)29/h5-8,13-14,21,24H,4,9-12,15H2,1-3H3/p+1/t21-/m0/s1