calcium 6-oxidanidyl-4-oxidanylidene-N-(3-piperidin-1-ylpropyl)-7-propan-2-yl-thieno[2,3-b]pyridine-5-carboximidate

Systemtic Name: calcium 6-oxidanidyl-4-oxidanylidene-N-(3-piperidin-1-ylpropyl)-7-propan-2-yl-thieno[2,3-b]pyridine-5-carboximidate Openeye Name: calcium 7-isopropyl-6-oxido-4-oxo-N-[3-(1-piperidyl)propyl]thieno[2,3-b]pyridine-5-carboximidate CAS Name: calcium 6-oxido-4-oxo-N-[3-(1-piperidinyl)propyl]-7-propan-2-yl-5-thieno[2,3-b]pyridinecarboximidate IUPAC Name: calcium 6-oxido-4-oxo-N-(3-piperidin-1-ylpropyl)-7-propan-2-ylthieno[2,3-b]pyridine-5-carboximidate Traditional Name: calcium 7-isopropyl-4-keto-6-oxido-N-(3-piperidinopropyl)thieno[2,3-b]pyridine-5-carboximidate Formula: C19H25CaN3O3S MolecularWeight: 415.5631

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=C(C(=O)C2=C1SC=C2)C(=NCCCN3CCCCC3)[O-])[O-].[Ca+2]

Isomeric SMILES

CC(C)N1C(=C(C(=O)C2=C1SC=C2)C(=NCCCN3CCCCC3)[O-])[O-].[Ca+2]

InChI

InChI=1S/C19H27N3O3S.Ca/c1-13(2)22-18(25)15(16(23)14-7-12-26-19(14)22)17(24)20-8-6-11-21-9-4-3-5-10-21;/h7,12-13,25H,3-6,8-11H2,1-2H3,(H,20,24);/q;+2/p-2