1-[4-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-(3-thenyl)piperazin-4-ium-1-yl]phenyl]ethanone Formula: C17H21N2OS+ MolecularWeight: 301.42644

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CSC=C3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CSC=C3

InChI

InChI=1S/C17H20N2OS/c1-14(20)16-2-4-17(5-3-16)19-9-7-18(8-10-19)12-15-6-11-21-13-15/h2-6,11,13H,7-10,12H2,1H3/p+1