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

Systemtic Name: 3-(azocan-1-ium-1-ylmethyl)-5-chloranyl-1,3-benzoxazole-2-thione Openeye Name: 3-(azocan-1-ium-1-ylmethyl)-5-chloro-1,3-benzoxazole-2-thione CAS Name: 3-(1-azocan-1-iumylmethyl)-5-chloro-1,3-benzoxazole-2-thione IUPAC Name: 3-(azocan-1-ium-1-ylmethyl)-5-chloro-1,3-benzoxazole-2-thione Traditional Name: 3-(azocan-1-ium-1-ylmethyl)-5-chloro-1,3-benzoxazole-2-thione Formula: C15H20ClN2OS+ MolecularWeight: 311.8501

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CN2C3=C(C=CC(=C3)Cl)OC2=S

Isomeric SMILES

C1CCC[NH+](CCC1)CN2C3=C(C=CC(=C3)Cl)OC2=S

InChI

InChI=1S/C15H19ClN2OS/c16-12-6-7-14-13(10-12)18(15(20)19-14)11-17-8-4-2-1-3-5-9-17/h6-7,10H,1-5,8-9,11H2/p+1