(2S)-2-(4-ethanoylpiperazin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)propanamide

Systemtic Name: (2S)-2-(4-ethanoylpiperazin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)propanamide Openeye Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)propanamide CAS Name: (2S)-2-(4-acetyl-1-piperazin-1-iumyl)-N-(2,4,6-trimethylphenyl)propanamide IUPAC Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)propanamide Traditional Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-mesityl-propionamide Formula: C18H28N3O2+ MolecularWeight: 318.43382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)[C@H](C)[NH+]2CCN(CC2)C(=O)C)C

InChI

InChI=1S/C18H27N3O2/c1-12-10-13(2)17(14(3)11-12)19-18(23)15(4)20-6-8-21(9-7-20)16(5)22/h10-11,15H,6-9H2,1-5H3,(H,19,23)/p+1/t15-/m0/s1