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

Systemtic Name: 4-methoxy-6-[[[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 4-methoxy-6-[[[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 4-methoxy-6-[[[(2S)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 4-methoxy-6-[[[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]amino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 4-methoxy-6-[[[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]amino]methylene]cyclohexa-2,4-dien-1-one Formula: C20H25N2O2+ MolecularWeight: 325.4247

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNCC(C2=CC=CC=C2)[NH+]3CCCC3)C(=O)C=C1

Isomeric SMILES

COC1=CC(=CNC[C@H](C2=CC=CC=C2)[NH+]3CCCC3)C(=O)C=C1

InChI

InChI=1S/C20H24N2O2/c1-24-18-9-10-20(23)17(13-18)14-21-15-19(22-11-5-6-12-22)16-7-3-2-4-8-16/h2-4,7-10,13-14,19,21H,5-6,11-12,15H2,1H3/p+1/t19-/m1/s1