2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-benzylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-(1,3-benzoxazol-2-ylthio)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-benzylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-1-(4-benzylpiperazin-4-ium-1-yl)ethanone Formula: C20H22N3O2S+ MolecularWeight: 368.47258

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C20H21N3O2S/c24-19(15-26-20-21-17-8-4-5-9-18(17)25-20)23-12-10-22(11-13-23)14-16-6-2-1-3-7-16/h1-9H,10-15H2/p+1