N-[[(3R)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]methyl]-1H-indole-2-carboxamide

Systemtic Name: N-[[(3R)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]methyl]-1H-indole-2-carboxamide Openeye Name: N-[[(3R)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]methyl]-1H-indole-2-carboxamide CAS Name: N-[[(3R)-1-(1,4-dithiepan-6-yl)-3-piperidin-1-iumyl]methyl]-1H-indole-2-carboxamide IUPAC Name: N-[[(3R)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]methyl]-1H-indole-2-carboxamide Traditional Name: N-[[(3R)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]methyl]-1H-indole-2-carboxamide Formula: C20H28N3OS2+ MolecularWeight: 390.58582

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CSCCSC2)CNC(=O)C3=CC4=CC=CC=C4N3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CSCCSC2)CNC(=O)C3=CC4=CC=CC=C4N3

InChI

InChI=1S/C20H27N3OS2/c24-20(19-10-16-5-1-2-6-18(16)22-19)21-11-15-4-3-7-23(12-15)17-13-25-8-9-26-14-17/h1-2,5-6,10,15,17,22H,3-4,7-9,11-14H2,(H,21,24)/p+1/t15-/m1/s1