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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O2/c1-14(2)12-19(24)22-10-8-21(9-11-22)13-18(23)20-17-7-5-6-15(3)16(17)4/h5-7,14H,8-13H2,1-4H3,(H,20,23)/p+1