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

Systemtic Name: 5-(hydroxymethyl)-4-[[[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]methylidene]-2-methyl-pyridin-3-one Openeye Name: 5-(hydroxymethyl)-4-[[[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]methylene]-2-methyl-pyridin-3-one CAS Name: 5-(hydroxymethyl)-4-[[[(2S)-2-(3-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]amino]methylidene]-2-methyl-3-pyridinone IUPAC Name: 5-(hydroxymethyl)-4-[[[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]amino]methylidene]-2-methylpyridin-3-one Traditional Name: 4-[[[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]methylene]-2-methyl-5-methylol-pyridin-3-one Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3/c1-15-21(26)19(17(14-25)11-23-15)12-22-13-20(24-8-3-4-9-24)16-6-5-7-18(10-16)27-2/h5-7,10-12,20,22,25H,3-4,8-9,13-14H2,1-2H3/p+1/t20-/m1/s1