5-(hydroxymethyl)-2-methyl-4-[[[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]amino]methylidene]pyridin-3-one

Systemtic Name: 5-(hydroxymethyl)-2-methyl-4-[[[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]amino]methylidene]pyridin-3-one Openeye Name: 5-(hydroxymethyl)-2-methyl-4-[[[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]amino]methylene]pyridin-3-one CAS Name: 5-(hydroxymethyl)-2-methyl-4-[[[(2S)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]amino]methylidene]-3-pyridinone IUPAC Name: 5-(hydroxymethyl)-2-methyl-4-[[[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]amino]methylidene]pyridin-3-one Traditional Name: 2-methyl-5-methylol-4-[[[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]amino]methylene]pyridin-3-one Formula: C20H26N3O2+ MolecularWeight: 340.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=CNCC(C2=CC=CC=C2)[NH+]3CCCC3)C1=O)CO

Isomeric SMILES

CC1=NC=C(C(=CNC[C@H](C2=CC=CC=C2)[NH+]3CCCC3)C1=O)CO

InChI

InChI=1S/C20H25N3O2/c1-15-20(25)18(17(14-24)11-22-15)12-21-13-19(23-9-5-6-10-23)16-7-3-2-4-8-16/h2-4,7-8,11-12,19,21,24H,5-6,9-10,13-14H2,1H3/p+1/t19-/m1/s1