1-[[6-methyl-5-[(2S)-2-methylbutyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[[6-methyl-5-[(2S)-2-methylbutyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[[6-methyl-5-[(2S)-2-methylbutyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[[6-methyl-5-[(2S)-2-methylbutyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[6-methyl-5-[(2S)-2-methylbutyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[[4-keto-6-methyl-5-[(2S)-2-methylbutyl]-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-1-ium-4-carboxamide Formula: C19H29N4O2S+ MolecularWeight: 377.52416

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCC(CC3)C(=O)N)C

Isomeric SMILES

CC[C@H](C)CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCC(CC3)C(=O)N)C

InChI

InChI=1S/C19H28N4O2S/c1-4-11(2)9-14-12(3)26-19-16(14)18(25)21-15(22-19)10-23-7-5-13(6-8-23)17(20)24/h11,13H,4-10H2,1-3H3,(H2,20,24)(H,21,22,25)/p+1/t11-/m0/s1