6-[[[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenyl-propan-2-yl]amino]methylidene]-3-propoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenyl-propan-2-yl]amino]methylidene]-3-propoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[(1R,2S)-1-methyl-2-morpholin-4-ium-4-yl-2-phenyl-ethyl]amino]methylene]-3-propoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[[[(1S,2R)-1-(4-morpholin-4-iumyl)-1-phenylpropan-2-yl]amino]methylidene]-3-propoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]amino]methylidene]-3-propoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[[[(1R,2S)-1-methyl-2-morpholin-4-ium-4-yl-2-phenyl-ethyl]amino]methylene]-3-propoxy-cyclohexa-2,4-dien-1-one Formula: C23H31N2O3+ MolecularWeight: 383.50384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=O)C(=CNC(C)C(C2=CC=CC=C2)[NH+]3CCOCC3)C=C1

Isomeric SMILES

CCCOC1=CC(=O)C(=CN[C@H](C)[C@H](C2=CC=CC=C2)[NH+]3CCOCC3)C=C1

InChI

InChI=1S/C23H30N2O3/c1-3-13-28-21-10-9-20(22(26)16-21)17-24-18(2)23(19-7-5-4-6-8-19)25-11-14-27-15-12-25/h4-10,16-18,23-24H,3,11-15H2,1-2H3/p+1/t18-,23-/m1/s1