6-[[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol

Systemtic Name: 6-[[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol Openeye Name: 6-[[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]indan-5-ol CAS Name: 6-[[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-2,3-dihydro-1H-inden-5-ol IUPAC Name: 6-[[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol Traditional Name: 6-[[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]indan-5-ol Formula: C22H25N2OS+ MolecularWeight: 365.5117

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=C(C=C3CCCC3=C2)O)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=C(C=C3CCCC3=C2)O)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H24N2OS/c25-20-12-16-6-3-5-15(16)11-18(20)14-24-10-4-7-17(13-24)22-23-19-8-1-2-9-21(19)26-22/h1-2,8-9,11-12,17,25H,3-7,10,13-14H2/p+1/t17-/m0/s1