2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-N-(3-methylbutylcarbamoyl)ethanamide

Systemtic Name: 2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-N-(3-methylbutylcarbamoyl)ethanamide Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(isopentylcarbamoyl)acetamide CAS Name: 2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-N-[(3-methylbutylamino)-oxomethyl]acetamide IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(3-methylbutylcarbamoyl)acetamide Traditional Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(isoamylcarbamoyl)acetamide Formula: C20H31N4O3+ MolecularWeight: 375.48514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)C[NH+]1CCN(CC1)C2=CC=C(C=C2)C(=O)C

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)C[NH+]1CCN(CC1)C2=CC=C(C=C2)C(=O)C

InChI

InChI=1S/C20H30N4O3/c1-15(2)8-9-21-20(27)22-19(26)14-23-10-12-24(13-11-23)18-6-4-17(5-7-18)16(3)25/h4-7,15H,8-14H2,1-3H3,(H2,21,22,26,27)/p+1