N-[(3,5-dimethoxyphenyl)methyl]-2-[(2R)-1-(3-methylbutyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-[(3,5-dimethoxyphenyl)methyl]-2-[(2R)-1-(3-methylbutyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-[(3,5-dimethoxyphenyl)methyl]-2-[(2R)-1-isopentyl-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-[(3,5-dimethoxyphenyl)methyl]-2-[(2R)-1-(3-methylbutyl)-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[(3,5-dimethoxyphenyl)methyl]-2-[(2R)-1-(3-methylbutyl)-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: N-(3,5-dimethoxybenzyl)-2-[(2R)-1-isoamyl-3-keto-piperazin-1-ium-2-yl]acetamide Formula: C20H32N3O4+ MolecularWeight: 378.48578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH+]1CCNC(=O)C1CC(=O)NCC2=CC(=CC(=C2)OC)OC

Isomeric SMILES

CC(C)CC[NH+]1CCNC(=O)[C@H]1CC(=O)NCC2=CC(=CC(=C2)OC)OC

InChI

InChI=1S/C20H31N3O4/c1-14(2)5-7-23-8-6-21-20(25)18(23)12-19(24)22-13-15-9-16(26-3)11-17(10-15)27-4/h9-11,14,18H,5-8,12-13H2,1-4H3,(H,21,25)(H,22,24)/p+1/t18-/m1/s1