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

Systemtic Name: N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-[(2R)-3-oxidanylidene-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanamide Openeye Name: N-[(3-ethylisoxazol-5-yl)methyl]-2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-1-ium-2-yl]acetamide CAS Name: N-[(3-ethyl-5-isoxazolyl)methyl]-2-[(2R)-3-oxo-1-(3-phenylpropyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-1-ium-2-yl]acetamide Traditional Name: N-[(3-ethylisoxazol-5-yl)methyl]-2-[(2R)-3-keto-1-(3-phenylpropyl)piperazin-1-ium-2-yl]acetamide Formula: C21H29N4O3+ MolecularWeight: 385.47996

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=C1)CNC(=O)CC2C(=O)NCC[NH+]2CCCC3=CC=CC=C3

Isomeric SMILES

CCC1=NOC(=C1)CNC(=O)C[C@@H]2C(=O)NCC[NH+]2CCCC3=CC=CC=C3

InChI

InChI=1S/C21H28N4O3/c1-2-17-13-18(28-24-17)15-23-20(26)14-19-21(27)22-10-12-25(19)11-6-9-16-7-4-3-5-8-16/h3-5,7-8,13,19H,2,6,9-12,14-15H2,1H3,(H,22,27)(H,23,26)/p+1/t19-/m1/s1