2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-ium-1-yl]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-ium-1-yl]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone Openeye Name: 2-[4-[2-(p-tolyl)ethyl]piperidin-1-ium-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 2-[4-[2-(4-methylphenyl)ethyl]-1-piperidin-1-iumyl]-1-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-ium-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-[4-[2-(p-tolyl)ethyl]piperidin-1-ium-1-yl]-1-[4-(2-thenoyl)piperazino]ethanone Formula: C25H34N3O2S+ MolecularWeight: 440.62136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC2CC[NH+](CC2)CC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)CCC2CC[NH+](CC2)CC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C25H33N3O2S/c1-20-4-6-21(7-5-20)8-9-22-10-12-26(13-11-22)19-24(29)27-14-16-28(17-15-27)25(30)23-3-2-18-31-23/h2-7,18,22H,8-17,19H2,1H3/p+1