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

Systemtic Name: 2-ethoxy-6-[[[(2S)-2-(4-ethoxy-3-methoxy-phenyl)-2-morpholin-4-ium-4-yl-ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 2-ethoxy-6-[[[(2S)-2-(4-ethoxy-3-methoxy-phenyl)-2-morpholin-4-ium-4-yl-ethyl]amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 2-ethoxy-6-[[[(2S)-2-(4-ethoxy-3-methoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 2-ethoxy-6-[[[(2S)-2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]amino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 2-ethoxy-6-[[[(2S)-2-(4-ethoxy-3-methoxy-phenyl)-2-morpholin-4-ium-4-yl-ethyl]amino]methylene]cyclohexa-2,4-dien-1-one Formula: C24H33N2O5+ MolecularWeight: 429.52922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N2O5/c1-4-30-21-10-9-18(15-23(21)28-3)20(26-11-13-29-14-12-26)17-25-16-19-7-6-8-22(24(19)27)31-5-2/h6-10,15-16,20,25H,4-5,11-14,17H2,1-3H3/p+1/t20-/m1/s1