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

Systemtic Name: N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-[(2R)-1-(naphthalen-1-ylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-[(3-ethylisoxazol-5-yl)methyl]-2-[(2R)-1-(1-naphthylmethyl)-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-[(3-ethyl-5-isoxazolyl)methyl]-2-[(2R)-1-(1-naphthalenylmethyl)-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-[(2R)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: N-[(3-ethylisoxazol-5-yl)methyl]-2-[(2R)-3-keto-1-(1-naphthylmethyl)piperazin-1-ium-2-yl]acetamide Formula: C23H27N4O3+ MolecularWeight: 407.48548

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=C1)CNC(=O)CC2C(=O)NCC[NH+]2CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCC1=NOC(=C1)CNC(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H26N4O3/c1-2-18-12-19(30-26-18)14-25-22(28)13-21-23(29)24-10-11-27(21)15-17-8-5-7-16-6-3-4-9-20(16)17/h3-9,12,21H,2,10-11,13-15H2,1H3,(H,24,29)(H,25,28)/p+1/t21-/m1/s1