3-[[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Openeye Name: 3-[[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one CAS Name: 3-[[(2R)-2-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Traditional Name: 3-[[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Formula: C20H20N3O2S+ MolecularWeight: 366.4567

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C2=NC3=CC=CC=C3S2)CN4C5=CC=CC=C5OC4=O

Isomeric SMILES

C1CC[NH+]([C@H](C1)C2=NC3=CC=CC=C3S2)CN4C5=CC=CC=C5OC4=O

InChI

InChI=1S/C20H19N3O2S/c24-20-23(15-8-2-3-10-17(15)25-20)13-22-12-6-5-9-16(22)19-21-14-7-1-4-11-18(14)26-19/h1-4,7-8,10-11,16H,5-6,9,12-13H2/p+1/t16-/m1/s1