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

Systemtic Name: 4-bromanyl-6-[[[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 4-bromo-6-[[[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 4-bromo-6-[[[(2R)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 4-bromo-6-[[[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]amino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 4-bromo-6-[[[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]amino]methylene]cyclohexa-2,4-dien-1-one Formula: C19H22BrN2O+ MolecularWeight: 374.29478

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC=C2C=C(C=CC2=O)Br)C3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC=C2C=C(C=CC2=O)Br)C3=CC=CC=C3

InChI

InChI=1S/C19H21BrN2O/c20-17-8-9-19(23)16(12-17)13-21-14-18(22-10-4-5-11-22)15-6-2-1-3-7-15/h1-3,6-9,12-13,18,21H,4-5,10-11,14H2/p+1/t18-/m0/s1