N-(2-ethylphenyl)-2-[4-(2-phenoxyethanoyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-(2-phenoxyethanoyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-(1-oxo-2-phenoxyethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-ium-1-yl]acetamide Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)COC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)COC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O3/c1-2-18-8-6-7-11-20(18)23-21(26)16-24-12-14-25(15-13-24)22(27)17-28-19-9-4-3-5-10-19/h3-11H,2,12-17H2,1H3,(H,23,26)/p+1