1-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-methyl-imidazole-2-thione

Systemtic Name: 1-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-methyl-imidazole-2-thione Openeye Name: 1-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-methyl-imidazole-2-thione CAS Name: 1-[[4-(4-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-3-methyl-2-imidazolethione IUPAC Name: 1-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-methylimidazole-2-thione Traditional Name: 1-methyl-3-[(4-p-phenetylsulfonylpiperazin-1-ium-1-yl)methyl]-4-imidazoline-2-thione Formula: C17H25N4O3S2+ MolecularWeight: 397.5354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C=CN(C3=S)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C=CN(C3=S)C

InChI

InChI=1S/C17H24N4O3S2/c1-3-24-15-4-6-16(7-5-15)26(22,23)21-12-9-19(10-13-21)14-20-11-8-18(2)17(20)25/h4-8,11H,3,9-10,12-14H2,1-2H3/p+1