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

Systemtic Name: 2-[4-[2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]ethanoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[2-(4,5-diphenyloxazol-2-yl)sulfanylacetyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[2-[(4,5-diphenyl-2-oxazolyl)thio]-1-oxoethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[2-[(4,5-diphenyloxazol-2-yl)thio]acetyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C27H31N4O3S+ MolecularWeight: 491.62504

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)CSC3=NC(=C(O3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)CSC3=NC(=C(O3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H30N4O3S/c32-23(30-13-7-8-14-30)19-29-15-17-31(18-16-29)24(33)20-35-27-28-25(21-9-3-1-4-10-21)26(34-27)22-11-5-2-6-12-22/h1-6,9-12H,7-8,13-20H2/p+1