N-[1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2-oxidanylidene-pyrimidin-4-yl]-1-methyl-quinolin-1-ium-3-carboxamide

Systemtic Name: N-[1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2-oxidanylidene-pyrimidin-4-yl]-1-methyl-quinolin-1-ium-3-carboxamide Openeye Name: N-[1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2-oxo-pyrimidin-4-yl]-1-methyl-quinolin-1-ium-3-carboxamide CAS Name: N-[1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2-oxo-4-pyrimidinyl]-1-methyl-3-quinolin-1-iumcarboxamide IUPAC Name: N-[1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2-oxopyrimidin-4-yl]-1-methylquinolin-1-ium-3-carboxamide Traditional Name: N-[2-keto-1-[(2R,5S)-2-methylol-1,3-oxathiolan-5-yl]pyrimidin-4-yl]-1-methyl-quinolin-1-ium-3-carboxamide Formula: C19H19N4O4S+ MolecularWeight: 399.44356

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC(=CC2=CC=CC=C21)C(=O)NC3=NC(=O)N(C=C3)C4CSC(O4)CO

Isomeric SMILES

C[N+]1=CC(=CC2=CC=CC=C21)C(=O)NC3=NC(=O)N(C=C3)[C@@H]4CS[C@@H](O4)CO

InChI

InChI=1S/C19H18N4O4S/c1-22-9-13(8-12-4-2-3-5-14(12)22)18(25)20-15-6-7-23(19(26)21-15)16-11-28-17(10-24)27-16/h2-9,16-17,24H,10-11H2,1H3/p+1/t16-,17+/m0/s1