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

Systemtic Name: 5-(hydroxymethyl)-2-methyl-4-[[[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]amino]methylidene]pyridin-3-one Openeye Name: 4-[[[(3S)-1-benzylpyrrolidin-1-ium-3-yl]amino]methylene]-5-(hydroxymethyl)-2-methyl-pyridin-3-one CAS Name: 5-(hydroxymethyl)-2-methyl-4-[[[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]amino]methylidene]-3-pyridinone IUPAC Name: 4-[[[(3S)-1-benzylpyrrolidin-1-ium-3-yl]amino]methylidene]-5-(hydroxymethyl)-2-methylpyridin-3-one Traditional Name: 4-[[[(3S)-1-benzylpyrrolidin-1-ium-3-yl]amino]methylene]-2-methyl-5-methylol-pyridin-3-one Formula: C19H24N3O2+ MolecularWeight: 326.41276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=CNC2CC[NH+](C2)CC3=CC=CC=C3)C1=O)CO

Isomeric SMILES

CC1=NC=C(C(=CN[C@H]2CC[NH+](C2)CC3=CC=CC=C3)C1=O)CO

InChI

InChI=1S/C19H23N3O2/c1-14-19(24)18(16(13-23)9-20-14)10-21-17-7-8-22(12-17)11-15-5-3-2-4-6-15/h2-6,9-10,17,21,23H,7-8,11-13H2,1H3/p+1/t17-/m0/s1