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

Systemtic Name: 5-chloranyl-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3-benzoxazole-2-thione Openeye Name: 5-chloro-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3-benzoxazole-2-thione CAS Name: 5-chloro-3-(1-pyrrolidin-1-iumylmethyl)-1,3-benzoxazole-2-thione IUPAC Name: 5-chloro-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3-benzoxazole-2-thione Traditional Name: 5-chloro-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3-benzoxazole-2-thione Formula: C12H14ClN2OS+ MolecularWeight: 269.77036

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CN2C3=C(C=CC(=C3)Cl)OC2=S

Isomeric SMILES

C1CC[NH+](C1)CN2C3=C(C=CC(=C3)Cl)OC2=S

InChI

InChI=1S/C12H13ClN2OS/c13-9-3-4-11-10(7-9)15(12(17)16-11)8-14-5-1-2-6-14/h3-4,7H,1-2,5-6,8H2/p+1