N-(2-ethylphenyl)-2-[4-(2-hydroxyphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-(2-hydroxyphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-(2-hydroxybenzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[(2-hydroxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-(2-hydroxybenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-(4-salicyloylpiperazin-1-ium-1-yl)acetamide Formula: C21H26N3O3+ MolecularWeight: 368.44944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3O

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3O

InChI

InChI=1S/C21H25N3O3/c1-2-16-7-3-5-9-18(16)22-20(26)15-23-11-13-24(14-12-23)21(27)17-8-4-6-10-19(17)25/h3-10,25H,2,11-15H2,1H3,(H,22,26)/p+1