N-methyl-2-[(2R)-1-(3-methylbutyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamide

Systemtic Name: N-methyl-2-[(2R)-1-(3-methylbutyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamide Openeye Name: 2-[(2R)-1-isopentyl-3-oxo-piperazin-1-ium-2-yl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide CAS Name: N-methyl-2-[(2R)-1-(3-methylbutyl)-3-oxo-2-piperazin-1-iumyl]-N-[2-(1-methyl-4-pyrazolyl)ethyl]acetamide IUPAC Name: N-methyl-2-[(2R)-1-(3-methylbutyl)-3-oxopiperazin-1-ium-2-yl]-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide Traditional Name: 2-[(2R)-1-isoamyl-3-keto-piperazin-1-ium-2-yl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide Formula: C18H32N5O2+ MolecularWeight: 350.47898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH+]1CCNC(=O)C1CC(=O)N(C)CCC2=CN(N=C2)C

Isomeric SMILES

CC(C)CC[NH+]1CCNC(=O)[C@H]1CC(=O)N(C)CCC2=CN(N=C2)C

InChI

InChI=1S/C18H31N5O2/c1-14(2)5-9-23-10-7-19-18(25)16(23)11-17(24)21(3)8-6-15-12-20-22(4)13-15/h12-14,16H,5-11H2,1-4H3,(H,19,25)/p+1/t16-/m1/s1