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

Systemtic Name: 1-[4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[[2-(3-thienyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[[2-(3-thiophenyl)-4-thiazolyl]methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[[2-(3-thienyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]phenyl]ethanone Formula: C20H22N3OS2+ MolecularWeight: 384.53818

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CSC(=N3)C4=CSC=C4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CSC(=N3)C4=CSC=C4

InChI

InChI=1S/C20H21N3OS2/c1-15(24)16-2-4-19(5-3-16)23-9-7-22(8-10-23)12-18-14-26-20(21-18)17-6-11-25-13-17/h2-6,11,13-14H,7-10,12H2,1H3/p+1