2-[(2S)-1,4-dimethylpiperazin-4-ium-2-yl]-N-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]ethanamide

Systemtic Name: 2-[(2S)-1,4-dimethylpiperazin-4-ium-2-yl]-N-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]ethanamide Openeye Name: 2-[(2S)-1,4-dimethylpiperazin-4-ium-2-yl]-N-[2-(2-methylanilino)-2-oxo-ethyl]acetamide CAS Name: 2-[(2S)-1,4-dimethyl-2-piperazin-4-iumyl]-N-[2-(2-methylanilino)-2-oxoethyl]acetamide IUPAC Name: 2-[(2S)-1,4-dimethylpiperazin-4-ium-2-yl]-N-[2-(2-methylanilino)-2-oxoethyl]acetamide Traditional Name: 2-[(2S)-1,4-dimethylpiperazin-4-ium-2-yl]-N-[2-keto-2-(o-toluidino)ethyl]acetamide Formula: C17H27N4O2+ MolecularWeight: 319.42188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CNC(=O)CC2C[NH+](CCN2C)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CNC(=O)C[C@H]2C[NH+](CCN2C)C

InChI

InChI=1S/C17H26N4O2/c1-13-6-4-5-7-15(13)19-17(23)11-18-16(22)10-14-12-20(2)8-9-21(14)3/h4-7,14H,8-12H2,1-3H3,(H,18,22)(H,19,23)/p+1/t14-/m0/s1