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

Systemtic Name: N-methyl-2-[(2R)-1-(2-methylpropyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(4-phenoxyphenyl)methyl]ethanamide Openeye Name: 2-[(2R)-1-isobutyl-3-oxo-piperazin-1-ium-2-yl]-N-methyl-N-[(4-phenoxyphenyl)methyl]acetamide CAS Name: N-methyl-2-[(2R)-1-(2-methylpropyl)-3-oxo-2-piperazin-1-iumyl]-N-[(4-phenoxyphenyl)methyl]acetamide IUPAC Name: N-methyl-2-[(2R)-1-(2-methylpropyl)-3-oxopiperazin-1-ium-2-yl]-N-[(4-phenoxyphenyl)methyl]acetamide Traditional Name: 2-[(2R)-1-isobutyl-3-keto-piperazin-1-ium-2-yl]-N-methyl-N-(4-phenoxybenzyl)acetamide Formula: C24H32N3O3+ MolecularWeight: 410.52918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCNC(=O)C1CC(=O)N(C)CC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(C)C[NH+]1CCNC(=O)[C@H]1CC(=O)N(C)CC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C24H31N3O3/c1-18(2)16-27-14-13-25-24(29)22(27)15-23(28)26(3)17-19-9-11-21(12-10-19)30-20-7-5-4-6-8-20/h4-12,18,22H,13-17H2,1-3H3,(H,25,29)/p+1/t22-/m1/s1