2-[(2R)-1-(3-methylbutyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]ethanamide

Systemtic Name: 2-[(2R)-1-(3-methylbutyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]ethanamide Openeye Name: 2-[(2R)-1-isopentyl-3-oxo-piperazin-1-ium-2-yl]-N-[2-(4-isopropoxyphenyl)ethyl]acetamide CAS Name: 2-[(2R)-1-(3-methylbutyl)-3-oxo-2-piperazin-1-iumyl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide IUPAC Name: 2-[(2R)-1-(3-methylbutyl)-3-oxopiperazin-1-ium-2-yl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide Traditional Name: 2-[(2R)-1-isoamyl-3-keto-piperazin-1-ium-2-yl]-N-[2-(4-isopropoxyphenyl)ethyl]acetamide Formula: C22H36N3O3+ MolecularWeight: 390.53954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH+]1CCNC(=O)C1CC(=O)NCCC2=CC=C(C=C2)OC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H35N3O3/c1-16(2)10-13-25-14-12-24-22(27)20(25)15-21(26)23-11-9-18-5-7-19(8-6-18)28-17(3)4/h5-8,16-17,20H,9-15H2,1-4H3,(H,23,26)(H,24,27)/p+1/t20-/m1/s1