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

Systemtic Name: 2-[(2S)-1-(3-methylbutyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[2-(3-methylpyridin-2-yl)ethyl]ethanamide Openeye Name: 2-[(2S)-1-isopentyl-3-oxo-piperazin-1-ium-2-yl]-N-[2-(3-methyl-2-pyridyl)ethyl]acetamide CAS Name: 2-[(2S)-1-(3-methylbutyl)-3-oxo-2-piperazin-1-iumyl]-N-[2-(3-methyl-2-pyridinyl)ethyl]acetamide IUPAC Name: 2-[(2S)-1-(3-methylbutyl)-3-oxopiperazin-1-ium-2-yl]-N-[2-(3-methylpyridin-2-yl)ethyl]acetamide Traditional Name: 2-[(2S)-1-isoamyl-3-keto-piperazin-1-ium-2-yl]-N-[2-(3-methyl-2-pyridyl)ethyl]acetamide Formula: C19H31N4O2+ MolecularWeight: 347.47504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N4O2/c1-14(2)7-11-23-12-10-22-19(25)17(23)13-18(24)21-9-6-16-15(3)5-4-8-20-16/h4-5,8,14,17H,6-7,9-13H2,1-3H3,(H,21,24)(H,22,25)/p+1/t17-/m0/s1