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

Systemtic Name: 5-(hydroxymethyl)-2-methyl-4-[[[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]amino]methylidene]pyridin-3-one Openeye Name: 5-(hydroxymethyl)-2-methyl-4-[[[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]amino]methylene]pyridin-3-one CAS Name: 5-(hydroxymethyl)-2-methyl-4-[[[(2R)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]amino]methylidene]-3-pyridinone IUPAC Name: 5-(hydroxymethyl)-2-methyl-4-[[[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]amino]methylidene]pyridin-3-one Traditional Name: 2-methyl-5-methylol-4-[[[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]amino]methylene]pyridin-3-one Formula: C18H24N3O2S+ MolecularWeight: 346.46706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=CNCC(C2=CC=CS2)[NH+]3CCCC3)C1=O)CO

Isomeric SMILES

CC1=NC=C(C(=CNC[C@H](C2=CC=CS2)[NH+]3CCCC3)C1=O)CO

InChI

InChI=1S/C18H23N3O2S/c1-13-18(23)15(14(12-22)9-20-13)10-19-11-16(17-5-4-8-24-17)21-6-2-3-7-21/h4-5,8-10,16,19,22H,2-3,6-7,11-12H2,1H3/p+1/t16-/m1/s1