2-[(2R)-1-(2-methylpropyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]ethanamide

Systemtic Name: 2-[(2R)-1-(2-methylpropyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]ethanamide Openeye Name: 2-[(2R)-1-isobutyl-3-oxo-piperazin-1-ium-2-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide CAS Name: 2-[(2R)-1-(2-methylpropyl)-3-oxo-2-piperazin-1-iumyl]-N-[2-(1-phenyl-4-pyrazolyl)ethyl]acetamide IUPAC Name: 2-[(2R)-1-(2-methylpropyl)-3-oxopiperazin-1-ium-2-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide Traditional Name: 2-[(2R)-1-isobutyl-3-keto-piperazin-1-ium-2-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide Formula: C21H30N5O2+ MolecularWeight: 384.4952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCNC(=O)C1CC(=O)NCCC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)C[NH+]1CCNC(=O)[C@H]1CC(=O)NCCC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H29N5O2/c1-16(2)14-25-11-10-23-21(28)19(25)12-20(27)22-9-8-17-13-24-26(15-17)18-6-4-3-5-7-18/h3-7,13,15-16,19H,8-12,14H2,1-2H3,(H,22,27)(H,23,28)/p+1/t19-/m1/s1