N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide

Systemtic Name: N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Openeye Name: N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide CAS Name: N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide IUPAC Name: N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Traditional Name: 4-keto-N-[(1S)-1-(4-mesylphenyl)ethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Formula: C18H18N3O4S+ MolecularWeight: 372.41822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)C)NC(=O)C2=CNC3=CC=CC=[N+]3C2=O

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O4S/c1-12(13-6-8-14(9-7-13)26(2,24)25)20-17(22)15-11-19-16-5-3-4-10-21(16)18(15)23/h3-12H,1-2H3,(H,20,22)/p+1/t12-/m0/s1