N-(2-ethylphenyl)-2-[4-(4-oxidanylidene-4-phenyl-butanoyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-(4-oxidanylidene-4-phenyl-butanoyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-(4-oxo-4-phenyl-butanoyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(1,4-dioxo-4-phenylbutyl)-1-piperazin-1-iumyl]-N-(2-ethylphenyl)acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-(4-oxo-4-phenylbutanoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-(4-keto-4-phenyl-butanoyl)piperazin-1-ium-1-yl]acetamide Formula: C24H30N3O3+ MolecularWeight: 408.5133

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O3/c1-2-19-8-6-7-11-21(19)25-23(29)18-26-14-16-27(17-15-26)24(30)13-12-22(28)20-9-4-3-5-10-20/h3-11H,2,12-18H2,1H3,(H,25,29)/p+1