1-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-propyl-imidazole-2-thione

Systemtic Name: 1-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-propyl-imidazole-2-thione Openeye Name: 1-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-propyl-imidazole-2-thione CAS Name: 1-[[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-3-propyl-2-imidazolethione IUPAC Name: 1-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-propylimidazole-2-thione Traditional Name: 1-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-propyl-4-imidazoline-2-thione Formula: C19H29N4O2S2+ MolecularWeight: 409.58916

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=CN(C1=S)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)C)C

Isomeric SMILES

CCCN1C=CN(C1=S)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)C)C

InChI

InChI=1S/C19H28N4O2S2/c1-4-7-21-10-11-22(19(21)26)15-20-8-12-23(13-9-20)27(24,25)18-6-5-16(2)14-17(18)3/h5-6,10-11,14H,4,7-9,12-13,15H2,1-3H3/p+1