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

Systemtic Name: 5-(hydroxymethyl)-2-methyl-4-[[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]methylidene]pyridin-3-one Openeye Name: 4-[[(1-benzylpiperidin-1-ium-4-yl)amino]methylene]-5-(hydroxymethyl)-2-methyl-pyridin-3-one CAS Name: 5-(hydroxymethyl)-2-methyl-4-[[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]methylidene]-3-pyridinone IUPAC Name: 4-[[(1-benzylpiperidin-1-ium-4-yl)amino]methylidene]-5-(hydroxymethyl)-2-methylpyridin-3-one Traditional Name: 4-[[(1-benzylpiperidin-1-ium-4-yl)amino]methylene]-2-methyl-5-methylol-pyridin-3-one Formula: C20H26N3O2+ MolecularWeight: 340.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=CNC2CC[NH+](CC2)CC3=CC=CC=C3)C1=O)CO

Isomeric SMILES

CC1=NC=C(C(=CNC2CC[NH+](CC2)CC3=CC=CC=C3)C1=O)CO

InChI

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