(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (2R)-1-(phenylsulfonyl)piperidine-2-carboxylate

Systemtic Name: (4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (2R)-1-(phenylsulfonyl)piperidine-2-carboxylate Openeye Name: (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (2R)-1-(benzenesulfonyl)piperidine-2-carboxylate CAS Name: (2R)-1-(benzenesulfonyl)-2-piperidinecarboxylic acid (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (2R)-1-(benzenesulfonyl)piperidine-2-carboxylate Traditional Name: (2R)-1-besylpipecolinic acid (4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C21H22N3O5S+ MolecularWeight: 428.48148

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCC2=CC(=O)[N+]3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN([C@H](C1)C(=O)OCC2=CC(=O)[N+]3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O5S/c25-20-14-16(22-19-11-5-6-12-23(19)20)15-29-21(26)18-10-4-7-13-24(18)30(27,28)17-8-2-1-3-9-17/h1-3,5-6,8-9,11-12,14,18H,4,7,10,13,15H2/p+1/t18-/m1/s1