2-[[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole

Systemtic Name: 2-[[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole Openeye Name: 2-[[4-[(5-chloro-2-thienyl)methyl]piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole CAS Name: 2-[[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-1-iumyl]methyl]-1,3-benzoxazole IUPAC Name: 2-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole Traditional Name: 2-[[4-[(5-chloro-2-thienyl)methyl]piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole Formula: C17H19ClN3OS+ MolecularWeight: 348.87026

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3O2)CC4=CC=C(S4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3O2)CC4=CC=C(S4)Cl

InChI

InChI=1S/C17H18ClN3OS/c18-16-6-5-13(23-16)11-20-7-9-21(10-8-20)12-17-19-14-3-1-2-4-15(14)22-17/h1-6H,7-12H2/p+1