5-chloranyl-2-piperidin-1-ium-4-ylsulfanyl-1,3-benzoxazole

Systemtic Name: 5-chloranyl-2-piperidin-1-ium-4-ylsulfanyl-1,3-benzoxazole Openeye Name: 5-chloro-2-piperidin-1-ium-4-ylsulfanyl-1,3-benzoxazole CAS Name: 5-chloro-2-(4-piperidin-1-iumylthio)-1,3-benzoxazole IUPAC Name: 5-chloro-2-piperidin-1-ium-4-ylsulfanyl-1,3-benzoxazole Traditional Name: 5-chloro-2-(piperidin-1-ium-4-ylthio)-1,3-benzoxazole Formula: C12H14ClN2OS+ MolecularWeight: 269.77036

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1SC2=NC3=C(O2)C=CC(=C3)Cl

Isomeric SMILES

C1C[NH2+]CCC1SC2=NC3=C(O2)C=CC(=C3)Cl

InChI

InChI=1S/C12H13ClN2OS/c13-8-1-2-11-10(7-8)15-12(16-11)17-9-3-5-14-6-4-9/h1-2,7,9,14H,3-6H2/p+1