3-[[4-[2-(4-chloranylphenoxy)ethyl]piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole-2-thione

Systemtic Name: 3-[[4-[2-(4-chloranylphenoxy)ethyl]piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole-2-thione Openeye Name: 3-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole-2-thione CAS Name: 3-[[4-[2-(4-chlorophenoxy)ethyl]-1-piperazin-1-iumyl]methyl]-1,3-benzoxazole-2-thione IUPAC Name: 3-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole-2-thione Traditional Name: 3-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole-2-thione Formula: C20H23ClN3O2S+ MolecularWeight: 404.93352

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=CC=CC=C3OC2=S)CCOC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=CC=CC=C3OC2=S)CCOC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H22ClN3O2S/c21-16-5-7-17(8-6-16)25-14-13-22-9-11-23(12-10-22)15-24-18-3-1-2-4-19(18)26-20(24)27/h1-8H,9-15H2/p+1