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

Systemtic Name: 2-methoxy-6-[[[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenyl-propan-2-yl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 2-methoxy-6-[[[(1R,2S)-1-methyl-2-morpholin-4-ium-4-yl-2-phenyl-ethyl]amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 2-methoxy-6-[[[(1S,2R)-1-(4-morpholin-4-iumyl)-1-phenylpropan-2-yl]amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 2-methoxy-6-[[[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]amino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 2-methoxy-6-[[[(1R,2S)-1-methyl-2-morpholin-4-ium-4-yl-2-phenyl-ethyl]amino]methylene]cyclohexa-2,4-dien-1-one Formula: C21H27N2O3+ MolecularWeight: 355.45068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)[NH+]2CCOCC2)NC=C3C=CC=C(C3=O)OC

Isomeric SMILES

C[C@H]([C@H](C1=CC=CC=C1)[NH+]2CCOCC2)NC=C3C=CC=C(C3=O)OC

InChI

InChI=1S/C21H26N2O3/c1-16(22-15-18-9-6-10-19(25-2)21(18)24)20(17-7-4-3-5-8-17)23-11-13-26-14-12-23/h3-10,15-16,20,22H,11-14H2,1-2H3/p+1/t16-,20-/m1/s1