N-[(5R)-7-oxidanylidene-5-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-5,6-dihydro-4H-1,3-benzothiazol-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[(5R)-7-oxidanylidene-5-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-5,6-dihydro-4H-1,3-benzothiazol-2-yl]thiophene-2-carboxamide Openeye Name: N-[(5R)-7-oxo-5-[4-(2-pyridylmethyl)piperazin-4-ium-1-carbonyl]-5,6-dihydro-4H-1,3-benzothiazol-2-yl]thiophene-2-carboxamide CAS Name: N-[(5R)-7-oxo-5-[oxo-[4-(2-pyridinylmethyl)-1-piperazin-4-iumyl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(5R)-7-oxo-5-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-carbonyl]-5,6-dihydro-4H-1,3-benzothiazol-2-yl]thiophene-2-carboxamide Traditional Name: N-[(5R)-7-keto-5-[4-(2-pyridylmethyl)piperazin-4-ium-1-carbonyl]-5,6-dihydro-4H-1,3-benzothiazol-2-yl]thiophene-2-carboxamide Formula: C23H24N5O3S2+ MolecularWeight: 482.59836

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=N2)C(=O)C3CC4=C(C(=O)C3)SC(=N4)NC(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=N2)C(=O)[C@@H]3CC4=C(C(=O)C3)SC(=N4)NC(=O)C5=CC=CS5

InChI

InChI=1S/C23H23N5O3S2/c29-18-13-15(12-17-20(18)33-23(25-17)26-21(30)19-5-3-11-32-19)22(31)28-9-7-27(8-10-28)14-16-4-1-2-6-24-16/h1-6,11,15H,7-10,12-14H2,(H,25,26,30)/p+1/t15-/m1/s1