N-(1,3-benzothiazol-2-ylmethyl)-6-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-2-oxidanylidene-1H-pyridine-3-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-6-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-2-oxidanylidene-1H-pyridine-3-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-6-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-6-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-2-oxo-1H-pyridine-3-carboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-6-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-6-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-2-keto-1H-pyridine-3-carboxamide Formula: C22H27N4O2S+ MolecularWeight: 411.54038

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=CC=C(C(=O)N2)C(=O)NCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC[C@H]1CCCC[NH+]1CC2=CC=C(C(=O)N2)C(=O)NCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H26N4O2S/c1-2-16-7-5-6-12-26(16)14-15-10-11-17(22(28)24-15)21(27)23-13-20-25-18-8-3-4-9-19(18)29-20/h3-4,8-11,16H,2,5-7,12-14H2,1H3,(H,23,27)(H,24,28)/p+1/t16-/m0/s1