2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-1,3-benzoxazole

Systemtic Name: 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-1,3-benzoxazole Openeye Name: 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-1,3-benzoxazole CAS Name: 2-[[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-1,3-benzoxazole IUPAC Name: 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-1,3-benzoxazole Traditional Name: 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-1,3-benzoxazole Formula: C20H20N3OS+ MolecularWeight: 350.4573

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC4=NC5=CC=CC=C5O4

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C20H19N3OS/c1-3-7-17-15(5-1)21-19(24-17)13-23-11-9-14(10-12-23)20-22-16-6-2-4-8-18(16)25-20/h1-8,14H,9-13H2/p+1