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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CN(N=C1)C)C(=O)CC2C(=O)NCC[NH+]2CCC(C)C

Isomeric SMILES

CCN(CC1=CN(N=C1)C)C(=O)C[C@H]2C(=O)NCC[NH+]2CCC(C)C

InChI

InChI=1S/C18H31N5O2/c1-5-22(13-15-11-20-21(4)12-15)17(24)10-16-18(25)19-7-9-23(16)8-6-14(2)3/h11-12,14,16H,5-10,13H2,1-4H3,(H,19,25)/p+1/t16-/m0/s1