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

Systemtic Name: 4-bromanyl-6-[[[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenyl-propan-2-yl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 4-bromo-6-[[[(1R,2S)-1-methyl-2-morpholin-4-ium-4-yl-2-phenyl-ethyl]amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 4-bromo-6-[[[(1S,2R)-1-(4-morpholin-4-iumyl)-1-phenylpropan-2-yl]amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 4-bromo-6-[[[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]amino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 4-bromo-6-[[[(1R,2S)-1-methyl-2-morpholin-4-ium-4-yl-2-phenyl-ethyl]amino]methylene]cyclohexa-2,4-dien-1-one Formula: C20H24BrN2O2+ MolecularWeight: 404.32076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)[NH+]2CCOCC2)NC=C3C=C(C=CC3=O)Br

Isomeric SMILES

C[C@H]([C@H](C1=CC=CC=C1)[NH+]2CCOCC2)NC=C3C=C(C=CC3=O)Br

InChI

InChI=1S/C20H23BrN2O2/c1-15(22-14-17-13-18(21)7-8-19(17)24)20(16-5-3-2-4-6-16)23-9-11-25-12-10-23/h2-8,13-15,20,22H,9-12H2,1H3/p+1/t15-,20-/m1/s1