N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-[(2R)-1-(3-methylbutyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-[(2R)-1-(3-methylbutyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-[(2R)-1-isopentyl-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-[(1,5-dimethyl-3-pyrazolyl)methyl]-2-[(2R)-1-(3-methylbutyl)-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-[(2R)-1-(3-methylbutyl)-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-[(2R)-1-isoamyl-3-keto-piperazin-1-ium-2-yl]acetamide Formula: C17H30N5O2+ MolecularWeight: 336.4524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C)CNC(=O)CC2C(=O)NCC[NH+]2CCC(C)C

Isomeric SMILES

CC1=CC(=NN1C)CNC(=O)C[C@@H]2C(=O)NCC[NH+]2CCC(C)C

InChI

InChI=1S/C17H29N5O2/c1-12(2)5-7-22-8-6-18-17(24)15(22)10-16(23)19-11-14-9-13(3)21(4)20-14/h9,12,15H,5-8,10-11H2,1-4H3,(H,18,24)(H,19,23)/p+1/t15-/m1/s1