2-[4-[4-(2,5-dimethylphenyl)-4-oxidanylidene-butanoyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[4-[4-(2,5-dimethylphenyl)-4-oxidanylidene-butanoyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[4-[4-(2,5-dimethylphenyl)-4-oxo-butanoyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide CAS Name: 2-[4-[4-(2,5-dimethylphenyl)-1,4-dioxobutyl]-1-piperazin-1-iumyl]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[4-[4-(2,5-dimethylphenyl)-4-oxobutanoyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[4-[4-(2,5-dimethylphenyl)-4-keto-butanoyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide Formula: C25H32N3O3+ MolecularWeight: 422.53988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)CCC(=O)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)CCC(=O)C3=C(C=CC(=C3)C)C

InChI

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