6-[[[(2R)-2-(4-ethoxy-3-methoxy-phenyl)-2-morpholin-4-ium-4-yl-ethyl]amino]methylidene]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]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]cyclohexa-2,4-dien-1-one CAS Name: 6-[[[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]amino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[[[(2R)-2-(4-ethoxy-3-methoxy-phenyl)-2-morpholin-4-ium-4-yl-ethyl]amino]methylene]cyclohexa-2,4-dien-1-one Formula: C22H29N2O4+ MolecularWeight: 385.47666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(CNC=C2C=CC=CC2=O)[NH+]3CCOCC3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)[C@H](CNC=C2C=CC=CC2=O)[NH+]3CCOCC3)OC

InChI

InChI=1S/C22H28N2O4/c1-3-28-21-9-8-17(14-22(21)26-2)19(24-10-12-27-13-11-24)16-23-15-18-6-4-5-7-20(18)25/h4-9,14-15,19,23H,3,10-13,16H2,1-2H3/p+1/t19-/m0/s1