2-[4-[3-(1,3-benzoxazol-2-yl)propanoyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide

Systemtic Name: 2-[4-[3-(1,3-benzoxazol-2-yl)propanoyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide Openeye Name: 2-[4-[3-(1,3-benzoxazol-2-yl)propanoyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide CAS Name: 2-[4-[3-(1,3-benzoxazol-2-yl)-1-oxopropyl]-1-piperazin-1-iumyl]-N-(2-ethylphenyl)acetamide IUPAC Name: 2-[4-[3-(1,3-benzoxazol-2-yl)propanoyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Traditional Name: 2-[4-[3-(1,3-benzoxazol-2-yl)propanoyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Formula: C24H29N4O3+ MolecularWeight: 421.51206

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CCC3=NC4=CC=CC=C4O3

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CCC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C24H28N4O3/c1-2-18-7-3-4-8-19(18)25-22(29)17-27-13-15-28(16-14-27)24(30)12-11-23-26-20-9-5-6-10-21(20)31-23/h3-10H,2,11-17H2,1H3,(H,25,29)/p+1