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

Systemtic Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-(2-thienylmethyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-[4-(4-methoxyphenyl)-1-piperazinyl]-2-[4-(thiophen-2-ylmethyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-[4-(4-methoxyphenyl)piperazino]-2-[4-(2-thenyl)piperazin-1-ium-1-yl]ethanone Formula: C22H31N4O2S+ MolecularWeight: 415.57214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C[NH+]3CCN(CC3)CC4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C[NH+]3CCN(CC3)CC4=CC=CS4

InChI

InChI=1S/C22H30N4O2S/c1-28-20-6-4-19(5-7-20)25-12-14-26(15-13-25)22(27)18-24-10-8-23(9-11-24)17-21-3-2-16-29-21/h2-7,16H,8-15,17-18H2,1H3/p+1