N-(1,3-benzothiazol-2-ylmethyl)-2-oxidanylidene-6-(piperidin-1-ium-1-ylmethyl)-1H-pyridine-3-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-2-oxidanylidene-6-(piperidin-1-ium-1-ylmethyl)-1H-pyridine-3-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-2-oxo-6-(piperidin-1-ium-1-ylmethyl)-1H-pyridine-3-carboxamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-2-oxo-6-(1-piperidin-1-iumylmethyl)-1H-pyridine-3-carboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-2-oxo-6-(piperidin-1-ium-1-ylmethyl)-1H-pyridine-3-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-2-keto-6-(piperidin-1-ium-1-ylmethyl)-1H-pyridine-3-carboxamide Formula: C20H23N4O2S+ MolecularWeight: 383.48722

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C(=O)N2)C(=O)NCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C(=O)N2)C(=O)NCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H22N4O2S/c25-19(21-12-18-23-16-6-2-3-7-17(16)27-18)15-9-8-14(22-20(15)26)13-24-10-4-1-5-11-24/h2-3,6-9H,1,4-5,10-13H2,(H,21,25)(H,22,26)/p+1