4-bromanyl-6-[[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(CNC=C2C=C(C=CC2=O)Br)[NH+]3CCCC3

Isomeric SMILES

COC1=CC=CC=C1[C@H](CNC=C2C=C(C=CC2=O)Br)[NH+]3CCCC3

InChI

InChI=1S/C20H23BrN2O2/c1-25-20-7-3-2-6-17(20)18(23-10-4-5-11-23)14-22-13-15-12-16(21)8-9-19(15)24/h2-3,6-9,12-13,18,22H,4-5,10-11,14H2,1H3/p+1/t18-/m0/s1