N-(2,6-dimethylphenyl)-2-[4-(2-morpholin-4-ium-4-ylethylcarbamothioyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-(2-morpholin-4-ium-4-ylethylcarbamothioyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-(2-morpholin-4-ium-4-ylethylcarbamothioyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[[2-(4-morpholin-4-iumyl)ethylamino]-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-(2-morpholin-4-ium-4-ylethylcarbamothioyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-(2-morpholin-4-ium-4-ylethylthiocarbamoyl)piperazin-1-ium-1-yl]acetamide Formula: C21H35N5O2S+2 MolecularWeight: 421.5999

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=S)NCC[NH+]3CCOCC3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=S)NCC[NH+]3CCOCC3

InChI

InChI=1S/C21H33N5O2S/c1-17-4-3-5-18(2)20(17)23-19(27)16-25-8-10-26(11-9-25)21(29)22-6-7-24-12-14-28-15-13-24/h3-5H,6-16H2,1-2H3,(H,22,29)(H,23,27)/p+2