4-bromanyl-6-[[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 4-bromanyl-6-[[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 4-bromo-6-[[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 4-bromo-6-[[[(2R)-2-(3-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 4-bromo-6-[[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]amino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 4-bromo-6-[[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]methylene]cyclohexa-2,4-dien-1-one Formula: C20H24BrN2O2+ MolecularWeight: 404.32076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(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/c1-25-18-6-4-5-15(12-18)19(23-9-2-3-10-23)14-22-13-16-11-17(21)7-8-20(16)24/h4-8,11-13,19,22H,2-3,9-10,14H2,1H3/p+1/t19-/m0/s1