3-[4-[1-(2-methoxyphenyl)piperazin-1-ium-1-yl]but-2-ynyl]-1,3-thiazolidin-4-one

Systemtic Name: 3-[4-[1-(2-methoxyphenyl)piperazin-1-ium-1-yl]but-2-ynyl]-1,3-thiazolidin-4-one Openeye Name: 3-[4-[1-(2-methoxyphenyl)piperazin-1-ium-1-yl]but-2-ynyl]thiazolidin-4-one CAS Name: 3-[4-[1-(2-methoxyphenyl)-1-piperazin-1-iumyl]but-2-ynyl]-4-thiazolidinone IUPAC Name: 3-[4-[1-(2-methoxyphenyl)piperazin-1-ium-1-yl]but-2-ynyl]-1,3-thiazolidin-4-one Traditional Name: 3-[4-[1-(2-methoxyphenyl)piperazin-1-ium-1-yl]but-2-ynyl]thiazolidin-4-one Formula: C18H24N3O2S+ MolecularWeight: 346.46706

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1[N+]2(CCNCC2)CC#CCN3CSCC3=O

Isomeric SMILES

COC1=CC=CC=C1[N+]2(CCNCC2)CC#CCN3CSCC3=O

InChI

InChI=1S/C18H24N3O2S/c1-23-17-7-3-2-6-16(17)21(12-8-19-9-13-21)11-5-4-10-20-15-24-14-18(20)22/h2-3,6-7,19H,8-15H2,1H3/q+1