4-oxidanylidene-N-[(2R)-1-thiophen-3-ylpropan-2-yl]-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide

Systemtic Name: 4-oxidanylidene-N-[(2R)-1-thiophen-3-ylpropan-2-yl]-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Openeye Name: N-[(1R)-1-methyl-2-(3-thienyl)ethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide CAS Name: 4-oxo-N-[(2R)-1-(3-thiophenyl)propan-2-yl]-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide IUPAC Name: 4-oxo-N-[(2R)-1-thiophen-3-ylpropan-2-yl]-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Traditional Name: 4-keto-N-[(1R)-1-methyl-2-(3-thienyl)ethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Formula: C16H16N3O2S+ MolecularWeight: 314.38214

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CSC=C1)NC(=O)C2=CNC3=CC=CC=[N+]3C2=O

Isomeric SMILES

C[C@H](CC1=CSC=C1)NC(=O)C2=CNC3=CC=CC=[N+]3C2=O

InChI

InChI=1S/C16H15N3O2S/c1-11(8-12-5-7-22-10-12)18-15(20)13-9-17-14-4-2-3-6-19(14)16(13)21/h2-7,9-11H,8H2,1H3,(H,18,20)/p+1/t11-/m1/s1