4-(2,5-dimethylphenyl)sulfonyl-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carbothioamide Openeye Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carbothioamide CAS Name: 4-(2,5-dimethylphenyl)sulfonyl-N-[2-(4-morpholin-4-iumyl)ethyl]-1-piperazinecarbothioamide IUPAC Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carbothioamide Traditional Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carbothioamide Formula: C19H31N4O3S2+ MolecularWeight: 427.60444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=S)NCC[NH+]3CCOCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=S)NCC[NH+]3CCOCC3

InChI

InChI=1S/C19H30N4O3S2/c1-16-3-4-17(2)18(15-16)28(24,25)23-9-7-22(8-10-23)19(27)20-5-6-21-11-13-26-14-12-21/h3-4,15H,5-14H2,1-2H3,(H,20,27)/p+1