N-[[(3R)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]methyl]-1H-indazole-3-carboxamide

Systemtic Name: N-[[(3R)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]methyl]-1H-indazole-3-carboxamide Openeye Name: N-[[(3R)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]methyl]-1H-indazole-3-carboxamide CAS Name: N-[[(3R)-1-(1,4-dithiepan-6-yl)-3-piperidin-1-iumyl]methyl]-1H-indazole-3-carboxamide IUPAC Name: N-[[(3R)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]methyl]-1H-indazole-3-carboxamide Traditional Name: N-[[(3R)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]methyl]-1H-indazole-3-carboxamide Formula: C19H27N4OS2+ MolecularWeight: 391.57388

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CSCCSC2)CNC(=O)C3=NNC4=CC=CC=C43

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CSCCSC2)CNC(=O)C3=NNC4=CC=CC=C43

InChI

InChI=1S/C19H26N4OS2/c24-19(18-16-5-1-2-6-17(16)21-22-18)20-10-14-4-3-7-23(11-14)15-12-25-8-9-26-13-15/h1-2,5-6,14-15H,3-4,7-13H2,(H,20,24)(H,21,22)/p+1/t14-/m1/s1