2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone

Systemtic Name: 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Openeye Name: 2-(4,5-diphenyloxazol-2-yl)sulfanyl-1-(4-methylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-[(4,5-diphenyl-2-oxazolyl)thio]-1-(4-methyl-1-piperazin-4-iumyl)ethanone IUPAC Name: 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-[(4,5-diphenyloxazol-2-yl)thio]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Formula: C22H24N3O2S+ MolecularWeight: 394.50986

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CSC2=NC(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CSC2=NC(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O2S/c1-24-12-14-25(15-13-24)19(26)16-28-22-23-20(17-8-4-2-5-9-17)21(27-22)18-10-6-3-7-11-18/h2-11H,12-16H2,1H3/p+1