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

Systemtic Name: 3-[[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Openeye Name: 3-[[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one CAS Name: 3-[[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Traditional Name: 3-[[(3S)-3-(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(C[NH+](C1)CN2C3=CC=CC=C3OC2=O)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CN2C3=CC=CC=C3OC2=O)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C20H19N3O2S/c24-20-23(16-8-2-3-9-17(16)25-20)13-22-11-5-6-14(12-22)19-21-15-7-1-4-10-18(15)26-19/h1-4,7-10,14H,5-6,11-13H2/p+1/t14-/m0/s1