5-(hydroxymethyl)-2-methyl-4-[[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]amino]methylidene]pyridin-3-one

Systemtic Name: 5-(hydroxymethyl)-2-methyl-4-[[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]amino]methylidene]pyridin-3-one Openeye Name: 5-(hydroxymethyl)-2-methyl-4-[[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]amino]methylene]pyridin-3-one CAS Name: 5-(hydroxymethyl)-2-methyl-4-[[[(2R)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]amino]methylidene]-3-pyridinone IUPAC Name: 5-(hydroxymethyl)-2-methyl-4-[[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]amino]methylidene]pyridin-3-one Traditional Name: 2-methyl-5-methylol-4-[[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]amino]methylene]pyridin-3-one Formula: C20H28N3O2S+ MolecularWeight: 374.52022

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNC=C2C(=CN=C(C2=O)C)CO)C3=CC=CS3

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](CNC=C2C(=CN=C(C2=O)C)CO)C3=CC=CS3

InChI

InChI=1S/C20H27N3O2S/c1-14-5-7-23(8-6-14)18(19-4-3-9-26-19)12-21-11-17-16(13-24)10-22-15(2)20(17)25/h3-4,9-11,14,18,21,24H,5-8,12-13H2,1-2H3/p+1/t18-/m1/s1