6-[[[(2R)-2-(4-ethoxy-3-methoxy-phenyl)-2-morpholin-4-ium-4-yl-ethyl]amino]methylidene]-2-methoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[[(2R)-2-(4-ethoxy-3-methoxy-phenyl)-2-morpholin-4-ium-4-yl-ethyl]amino]methylidene]-2-methoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[(2R)-2-(4-ethoxy-3-methoxy-phenyl)-2-morpholin-4-ium-4-yl-ethyl]amino]methylene]-2-methoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[[[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]amino]methylidene]-2-methoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]amino]methylidene]-2-methoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[[[(2R)-2-(4-ethoxy-3-methoxy-phenyl)-2-morpholin-4-ium-4-yl-ethyl]amino]methylene]-2-methoxy-cyclohexa-2,4-dien-1-one Formula: C23H31N2O5+ MolecularWeight: 415.50264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(CNC=C2C=CC=C(C2=O)OC)[NH+]3CCOCC3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)[C@H](CNC=C2C=CC=C(C2=O)OC)[NH+]3CCOCC3)OC

InChI

InChI=1S/C23H30N2O5/c1-4-30-20-9-8-17(14-22(20)28-3)19(25-10-12-29-13-11-25)16-24-15-18-6-5-7-21(27-2)23(18)26/h5-9,14-15,19,24H,4,10-13,16H2,1-3H3/p+1/t19-/m0/s1