2-[4-[(2S)-2-methylbutanoyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[4-[(2S)-2-methylbutanoyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[4-[(2S)-2-methylbutanoyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide CAS Name: 2-[4-[(2S)-2-methyl-1-oxobutyl]-1-piperazin-1-iumyl]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[4-[(2S)-2-methylbutanoyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[4-[(2S)-2-methylbutanoyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide Formula: C18H28N3O2+ MolecularWeight: 318.43382

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)C

Isomeric SMILES

CC[C@H](C)C(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)C

InChI

InChI=1S/C18H27N3O2/c1-4-15(3)18(23)21-11-9-20(10-12-21)13-17(22)19-16-7-5-14(2)6-8-16/h5-8,15H,4,9-13H2,1-3H3,(H,19,22)/p+1/t15-/m0/s1