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

Systemtic Name: 2-[4-[2-(1,2-benzoxazol-3-yl)ethanoyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide Openeye Name: 2-[4-[2-(1,2-benzoxazol-3-yl)acetyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide CAS Name: 2-[4-[2-(1,2-benzoxazol-3-yl)-1-oxoethyl]-1-piperazin-1-iumyl]-N-(2-ethylphenyl)acetamide IUPAC Name: 2-[4-[2-(1,2-benzoxazol-3-yl)acetyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-(2-indoxazen-3-ylacetyl)piperazin-1-ium-1-yl]acetamide Formula: C23H27N4O3+ MolecularWeight: 407.48548

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CC3=NOC4=CC=CC=C43

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CC3=NOC4=CC=CC=C43

InChI

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