N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[(2R)-3-oxidanylidene-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[(2R)-3-oxidanylidene-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanamide Openeye Name: N-(isoxazol-5-ylmethyl)-N-methyl-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]acetamide CAS Name: N-(5-isoxazolylmethyl)-N-methyl-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]acetamide Traditional Name: N-(isoxazol-5-ylmethyl)-2-[(2R)-3-keto-1-(3-phenoxybenzyl)piperazin-1-ium-2-yl]-N-methyl-acetamide Formula: C24H27N4O4+ MolecularWeight: 435.49558

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=NO1)C(=O)CC2C(=O)NCC[NH+]2CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CN(CC1=CC=NO1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C24H26N4O4/c1-27(17-21-10-11-26-32-21)23(29)15-22-24(30)25-12-13-28(22)16-18-6-5-9-20(14-18)31-19-7-3-2-4-8-19/h2-11,14,22H,12-13,15-17H2,1H3,(H,25,30)/p+1/t22-/m1/s1