5-chloranyl-3-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-1,3-benzoxazole-2-thione

Systemtic Name: 5-chloranyl-3-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-1,3-benzoxazole-2-thione Openeye Name: 5-chloro-3-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-1,3-benzoxazole-2-thione CAS Name: 5-chloro-3-[[(2R)-2-ethyl-1-piperidin-1-iumyl]methyl]-1,3-benzoxazole-2-thione IUPAC Name: 5-chloro-3-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-1,3-benzoxazole-2-thione Traditional Name: 5-chloro-3-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-1,3-benzoxazole-2-thione Formula: C15H20ClN2OS+ MolecularWeight: 311.8501

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CN2C3=C(C=CC(=C3)Cl)OC2=S

Isomeric SMILES

CC[C@@H]1CCCC[NH+]1CN2C3=C(C=CC(=C3)Cl)OC2=S

InChI

InChI=1S/C15H19ClN2OS/c1-2-12-5-3-4-8-17(12)10-18-13-9-11(16)6-7-14(13)19-15(18)20/h6-7,9,12H,2-5,8,10H2,1H3/p+1/t12-/m1/s1