N-(2,6-dimethylphenyl)-2-[4-[4-(4-methylphenyl)-4-oxidanylidene-butanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[4-(4-methylphenyl)-4-oxidanylidene-butanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[4-oxo-4-(p-tolyl)butanoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[4-(4-methylphenyl)-1,4-dioxobutyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[4-(4-methylphenyl)-4-oxobutanoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-[4-keto-4-(p-tolyl)butanoyl]piperazin-1-ium-1-yl]acetamide Formula: C25H32N3O3+ MolecularWeight: 422.53988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CCC(=O)N2CC[NH+](CC2)CC(=O)NC3=C(C=CC=C3C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CCC(=O)N2CC[NH+](CC2)CC(=O)NC3=C(C=CC=C3C)C

InChI

InChI=1S/C25H31N3O3/c1-18-7-9-21(10-8-18)22(29)11-12-24(31)28-15-13-27(14-16-28)17-23(30)26-25-19(2)5-4-6-20(25)3/h4-10H,11-17H2,1-3H3,(H,26,30)/p+1