N-(2-methylpropylcarbamoyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2-methylpropylcarbamoyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(isobutylcarbamoyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(2-methylpropylamino)-oxomethyl]-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(2-methylpropylcarbamoyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(isobutylcarbamoyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C17H27N4O2+ MolecularWeight: 319.42188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4O2/c1-14(2)12-18-17(23)19-16(22)13-20-8-10-21(11-9-20)15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3,(H2,18,19,22,23)/p+1