3-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4,5-dimethyl-1,3-oxazole-2-thione

Systemtic Name: 3-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4,5-dimethyl-1,3-oxazole-2-thione Openeye Name: 3-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4,5-dimethyl-oxazole-2-thione CAS Name: 3-[[4-(4-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-4,5-dimethyl-2-oxazolethione IUPAC Name: 3-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4,5-dimethyl-1,3-oxazole-2-thione Traditional Name: 4,5-dimethyl-3-[(4-p-phenetylsulfonylpiperazin-1-ium-1-yl)methyl]-4-oxazoline-2-thione Formula: C18H26N3O4S2+ MolecularWeight: 412.54674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C(=C(OC3=S)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C(=C(OC3=S)C)C

InChI

InChI=1S/C18H25N3O4S2/c1-4-24-16-5-7-17(8-6-16)27(22,23)20-11-9-19(10-12-20)13-21-14(2)15(3)25-18(21)26/h5-8H,4,9-13H2,1-3H3/p+1