N-(2,6-dimethylphenyl)-2-[4-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[[3-(4-morpholin-4-iumyl)propylamino]-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-(3-morpholin-4-ium-4-ylpropylthiocarbamoyl)piperazin-1-ium-1-yl]acetamide Formula: C22H37N5O2S+2 MolecularWeight: 435.62648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35N5O2S/c1-18-5-3-6-19(2)21(18)24-20(28)17-26-9-11-27(12-10-26)22(30)23-7-4-8-25-13-15-29-16-14-25/h3,5-6H,4,7-17H2,1-2H3,(H,23,30)(H,24,28)/p+2