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

Systemtic Name: N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[(2R)-3-oxidanylidene-1-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[(2R)-1-[(E)-cinnamyl]-3-oxo-piperazin-1-ium-2-yl]-N-(isoxazol-5-ylmethyl)-N-methyl-acetamide CAS Name: N-(5-isoxazolylmethyl)-N-methyl-2-[(2R)-3-oxo-1-[(E)-3-phenylprop-2-enyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[(2R)-3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[(2R)-1-[(E)-cinnamyl]-3-keto-piperazin-1-ium-2-yl]-N-(isoxazol-5-ylmethyl)-N-methyl-acetamide Formula: C20H25N4O3+ MolecularWeight: 369.4375

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O3/c1-23(15-17-9-10-22-27-17)19(25)14-18-20(26)21-11-13-24(18)12-5-8-16-6-3-2-4-7-16/h2-10,18H,11-15H2,1H3,(H,21,26)/p+1/b8-5+/t18-/m1/s1