5-chloranyl-3-(piperidin-1-ium-1-ylmethyl)-1,3-benzoxazole-2-thione

Systemtic Name: 5-chloranyl-3-(piperidin-1-ium-1-ylmethyl)-1,3-benzoxazole-2-thione Openeye Name: 5-chloro-3-(piperidin-1-ium-1-ylmethyl)-1,3-benzoxazole-2-thione CAS Name: 5-chloro-3-(1-piperidin-1-iumylmethyl)-1,3-benzoxazole-2-thione IUPAC Name: 5-chloro-3-(piperidin-1-ium-1-ylmethyl)-1,3-benzoxazole-2-thione Traditional Name: 5-chloro-3-(piperidin-1-ium-1-ylmethyl)-1,3-benzoxazole-2-thione Formula: C13H16ClN2OS+ MolecularWeight: 283.79694

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CN2C3=C(C=CC(=C3)Cl)OC2=S

Isomeric SMILES

C1CC[NH+](CC1)CN2C3=C(C=CC(=C3)Cl)OC2=S

InChI

InChI=1S/C13H15ClN2OS/c14-10-4-5-12-11(8-10)16(13(18)17-12)9-15-6-2-1-3-7-15/h4-5,8H,1-3,6-7,9H2/p+1