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

Systemtic Name: 5-(hydroxymethyl)-2-methyl-4-[[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methylamino]methylidene]pyridin-3-one Openeye Name: 5-(hydroxymethyl)-2-methyl-4-[[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methylamino]methylene]pyridin-3-one CAS Name: 5-(hydroxymethyl)-2-methyl-4-[[[2-(4-morpholin-4-iumylmethyl)phenyl]methylamino]methylidene]-3-pyridinone IUPAC Name: 5-(hydroxymethyl)-2-methyl-4-[[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methylamino]methylidene]pyridin-3-one Traditional Name: 2-methyl-5-methylol-4-[[[2-(morpholin-4-ium-4-ylmethyl)benzyl]amino]methylene]pyridin-3-one Formula: C20H26N3O3+ MolecularWeight: 356.43874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=CNCC2=CC=CC=C2C[NH+]3CCOCC3)C1=O)CO

Isomeric SMILES

CC1=NC=C(C(=CNCC2=CC=CC=C2C[NH+]3CCOCC3)C1=O)CO

InChI

InChI=1S/C20H25N3O3/c1-15-20(25)19(18(14-24)11-22-15)12-21-10-16-4-2-3-5-17(16)13-23-6-8-26-9-7-23/h2-5,11-12,21,24H,6-10,13-14H2,1H3/p+1