6-[4-[1-(2-methoxyphenyl)piperazin-1-ium-1-yl]but-2-ynyl]-9-thia-6-azaspiro[4.4]nonan-7-one

Systemtic Name: 6-[4-[1-(2-methoxyphenyl)piperazin-1-ium-1-yl]but-2-ynyl]-9-thia-6-azaspiro[4.4]nonan-7-one Openeye Name: 6-[4-[1-(2-methoxyphenyl)piperazin-1-ium-1-yl]but-2-ynyl]-9-thia-6-azaspiro[4.4]nonan-7-one CAS Name: 6-[4-[1-(2-methoxyphenyl)-1-piperazin-1-iumyl]but-2-ynyl]-9-thia-6-azaspiro[4.4]nonan-7-one IUPAC Name: 6-[4-[1-(2-methoxyphenyl)piperazin-1-ium-1-yl]but-2-ynyl]-9-thia-6-azaspiro[4.4]nonan-7-one Traditional Name: 6-[4-[1-(2-methoxyphenyl)piperazin-1-ium-1-yl]but-2-ynyl]-9-thia-6-azaspiro[4.4]nonan-7-one Formula: C22H30N3O2S+ MolecularWeight: 400.5575

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1[N+]2(CCNCC2)CC#CCN3C(=O)CSC34CCCC4

Isomeric SMILES

COC1=CC=CC=C1[N+]2(CCNCC2)CC#CCN3C(=O)CSC34CCCC4

InChI

InChI=1S/C22H30N3O2S/c1-27-20-9-3-2-8-19(20)25(16-12-23-13-17-25)15-7-6-14-24-21(26)18-28-22(24)10-4-5-11-22/h2-3,8-9,23H,4-5,10-18H2,1H3/q+1