ethyl (3S)-1-[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C15H20N3O3S+ MolecularWeight: 322.4026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=NC(=O)C3=C(N2)C=CS3

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC2=NC(=O)C3=C(N2)C=CS3

InChI

InChI=1S/C15H19N3O3S/c1-2-21-15(20)10-4-3-6-18(8-10)9-12-16-11-5-7-22-13(11)14(19)17-12/h5,7,10H,2-4,6,8-9H2,1H3,(H,16,17,19)/p+1/t10-/m0/s1