2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[(2S)-pentan-2-yl]ethanamide

Systemtic Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[(2S)-pentan-2-yl]ethanamide Openeye Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[(1S)-1-methylbutyl]acetamide CAS Name: 2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-N-[(2S)-pentan-2-yl]acetamide IUPAC Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[(2S)-pentan-2-yl]acetamide Traditional Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[(1S)-1-methylbutyl]acetamide Formula: C19H32N3O+ MolecularWeight: 318.47688

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)C[NH+]1CCN(CC1)C2=CC=CC(=C2C)C

Isomeric SMILES

CCC[C@H](C)NC(=O)C[NH+]1CCN(CC1)C2=CC=CC(=C2C)C

InChI

InChI=1S/C19H31N3O/c1-5-7-16(3)20-19(23)14-21-10-12-22(13-11-21)18-9-6-8-15(2)17(18)4/h6,8-9,16H,5,7,10-14H2,1-4H3,(H,20,23)/p+1/t16-/m0/s1