5-(hydroxymethyl)-2-methyl-4-[[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]methylidene]pyridin-3-one

Systemtic Name: 5-(hydroxymethyl)-2-methyl-4-[[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]methylidene]pyridin-3-one Openeye Name: 5-(hydroxymethyl)-2-methyl-4-[[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]methylene]pyridin-3-one CAS Name: 5-(hydroxymethyl)-2-methyl-4-[[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methylamino]methylidene]-3-pyridinone IUPAC Name: 5-(hydroxymethyl)-2-methyl-4-[[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]methylidene]pyridin-3-one Traditional Name: 2-methyl-5-methylol-4-[[[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]amino]methylene]pyridin-3-one Formula: C20H26N3O2+ MolecularWeight: 340.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=CNCC2=CC=CC=C2C[NH+]3CCCC3)C1=O)CO

Isomeric SMILES

CC1=NC=C(C(=CNCC2=CC=CC=C2C[NH+]3CCCC3)C1=O)CO

InChI

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