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

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-(1,3-benzoxazol-2-ylthio)-1-[4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-1-[4-(3-chlorobenzyl)piperazin-4-ium-1-yl]ethanone Formula: C20H21ClN3O2S+ MolecularWeight: 402.91764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O2S/c21-16-5-3-4-15(12-16)13-23-8-10-24(11-9-23)19(25)14-27-20-22-17-6-1-2-7-18(17)26-20/h1-7,12H,8-11,13-14H2/p+1