1-[4-[4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[[5-(2-thienyl)isoxazol-3-yl]methyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(5-thiophen-2-yl-3-isoxazolyl)methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[[5-(2-thienyl)isoxazol-3-yl]methyl]piperazin-4-ium-1-yl]phenyl]ethanone Formula: C20H22N3O2S+ MolecularWeight: 368.47258

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=NOC(=C3)C4=CC=CS4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=NOC(=C3)C4=CC=CS4

InChI

InChI=1S/C20H21N3O2S/c1-15(24)16-4-6-18(7-5-16)23-10-8-22(9-11-23)14-17-13-19(25-21-17)20-3-2-12-26-20/h2-7,12-13H,8-11,14H2,1H3/p+1