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

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-[(2S)-2-methylbutanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-[(2S)-2-methylbutanoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-[(2S)-2-methyl-1-oxobutyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-[(2S)-2-methylbutanoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[4-[(2S)-2-methylbutanoyl]piperazin-1-ium-1-yl]acetamide Formula: C19H30N3O2+ MolecularWeight: 332.4604

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=CC(=C2C)C

Isomeric SMILES

CC[C@H](C)C(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=CC(=C2C)C

InChI

InChI=1S/C19H29N3O2/c1-5-14(2)19(24)22-11-9-21(10-12-22)13-18(23)20-17-8-6-7-15(3)16(17)4/h6-8,14H,5,9-13H2,1-4H3,(H,20,23)/p+1/t14-/m0/s1