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

Systemtic Name: N-[(1-ethylpyrazol-4-yl)methyl]-2-[(2R)-1-(3-methylbutyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-[(1-ethylpyrazol-4-yl)methyl]-2-[(2R)-1-isopentyl-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-[(1-ethyl-4-pyrazolyl)methyl]-2-[(2R)-1-(3-methylbutyl)-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1-ethylpyrazol-4-yl)methyl]-2-[(2R)-1-(3-methylbutyl)-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: N-[(1-ethylpyrazol-4-yl)methyl]-2-[(2R)-1-isoamyl-3-keto-piperazin-1-ium-2-yl]acetamide Formula: C17H30N5O2+ MolecularWeight: 336.4524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)CNC(=O)CC2C(=O)NCC[NH+]2CCC(C)C

Isomeric SMILES

CCN1C=C(C=N1)CNC(=O)C[C@@H]2C(=O)NCC[NH+]2CCC(C)C

InChI

InChI=1S/C17H29N5O2/c1-4-22-12-14(11-20-22)10-19-16(23)9-15-17(24)18-6-8-21(15)7-5-13(2)3/h11-13,15H,4-10H2,1-3H3,(H,18,24)(H,19,23)/p+1/t15-/m1/s1