N-(3-methylbutylcarbamoyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(3-methylbutylcarbamoyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(isopentylcarbamoyl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(3-methylbutylamino)-oxomethyl]-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-methylbutylcarbamoyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(isoamylcarbamoyl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide Formula: C17H28N5O2+ MolecularWeight: 334.43652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)C[NH+]1CCN(CC1)C2=CC=CC=N2

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)C[NH+]1CCN(CC1)C2=CC=CC=N2

InChI

InChI=1S/C17H27N5O2/c1-14(2)6-8-19-17(24)20-16(23)13-21-9-11-22(12-10-21)15-5-3-4-7-18-15/h3-5,7,14H,6,8-13H2,1-2H3,(H2,19,20,23,24)/p+1