1-[4-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-(2-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=CC=CS3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC=CS3

InChI

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