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

Systemtic Name: N-methyl-2-[(2R)-1-(3-methylbutyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(3-pyrazol-1-ylphenyl)methyl]ethanamide Openeye Name: 2-[(2R)-1-isopentyl-3-oxo-piperazin-1-ium-2-yl]-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]acetamide CAS Name: N-methyl-2-[(2R)-1-(3-methylbutyl)-3-oxo-2-piperazin-1-iumyl]-N-[[3-(1-pyrazolyl)phenyl]methyl]acetamide IUPAC Name: N-methyl-2-[(2R)-1-(3-methylbutyl)-3-oxopiperazin-1-ium-2-yl]-N-[(3-pyrazol-1-ylphenyl)methyl]acetamide Traditional Name: 2-[(2R)-1-isoamyl-3-keto-piperazin-1-ium-2-yl]-N-methyl-N-(3-pyrazol-1-ylbenzyl)acetamide Formula: C22H32N5O2+ MolecularWeight: 398.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH+]1CCNC(=O)C1CC(=O)N(C)CC2=CC(=CC=C2)N3C=CC=N3

Isomeric SMILES

CC(C)CC[NH+]1CCNC(=O)[C@H]1CC(=O)N(C)CC2=CC(=CC=C2)N3C=CC=N3

InChI

InChI=1S/C22H31N5O2/c1-17(2)8-12-26-13-10-23-22(29)20(26)15-21(28)25(3)16-18-6-4-7-19(14-18)27-11-5-9-24-27/h4-7,9,11,14,17,20H,8,10,12-13,15-16H2,1-3H3,(H,23,29)/p+1/t20-/m1/s1