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

Systemtic Name: 2-(1,2-benzoxazol-3-yl)-1-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(1,2-benzoxazol-3-yl)-1-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-(1,2-benzoxazol-3-yl)-1-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(1,2-benzoxazol-3-yl)-1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-2-indoxazen-3-yl-ethanone Formula: C18H19ClN3O2S+ MolecularWeight: 376.88036

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Cl)C(=O)CC3=NOC4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Cl)C(=O)CC3=NOC4=CC=CC=C43

InChI

InChI=1S/C18H18ClN3O2S/c19-17-6-5-13(25-17)12-21-7-9-22(10-8-21)18(23)11-15-14-3-1-2-4-16(14)24-20-15/h1-6H,7-12H2/p+1