N-(2,6-dimethylphenyl)-2-[4-[4-(2-methylpropoxy)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[4-(2-methylpropoxy)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-(4-isobutoxybenzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[[4-(2-methylpropoxy)phenyl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[4-(2-methylpropoxy)benzoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-(4-isobutoxybenzoyl)piperazin-1-ium-1-yl]acetamide Formula: C25H34N3O3+ MolecularWeight: 424.55576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O3/c1-18(2)17-31-22-10-8-21(9-11-22)25(30)28-14-12-27(13-15-28)16-23(29)26-24-19(3)6-5-7-20(24)4/h5-11,18H,12-17H2,1-4H3,(H,26,29)/p+1