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

Systemtic Name: N-methyl-N-(1,2-oxazol-3-ylmethyl)-2-[(2R)-3-oxidanylidene-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanamide Openeye Name: N-(isoxazol-3-ylmethyl)-N-methyl-2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-1-ium-2-yl]acetamide CAS Name: N-(3-isoxazolylmethyl)-N-methyl-2-[(2R)-3-oxo-1-(3-phenylpropyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: N-methyl-N-(1,2-oxazol-3-ylmethyl)-2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-1-ium-2-yl]acetamide Traditional Name: N-(isoxazol-3-ylmethyl)-2-[(2R)-3-keto-1-(3-phenylpropyl)piperazin-1-ium-2-yl]-N-methyl-acetamide Formula: C20H27N4O3+ MolecularWeight: 371.45338

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NOC=C1)C(=O)CC2C(=O)NCC[NH+]2CCCC3=CC=CC=C3

Isomeric SMILES

CN(CC1=NOC=C1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CCCC3=CC=CC=C3

InChI

InChI=1S/C20H26N4O3/c1-23(15-17-9-13-27-22-17)19(25)14-18-20(26)21-10-12-24(18)11-5-8-16-6-3-2-4-7-16/h2-4,6-7,9,13,18H,5,8,10-12,14-15H2,1H3,(H,21,26)/p+1/t18-/m1/s1