methyl 1-[(4-oxidanylidene-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[(4-oxidanylidene-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(4-keto-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C20H22N3O3S+ MolecularWeight: 384.47198

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C20H21N3O3S/c1-26-20(25)14-7-9-23(10-8-14)12-17-21-18(24)15-11-16(27-19(15)22-17)13-5-3-2-4-6-13/h2-6,11,14H,7-10,12H2,1H3,(H,21,22,24)/p+1