N-(2-ethylphenyl)-2-[4-[4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-[4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[1,4-dioxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butyl]-1-piperazin-1-iumyl]-N-(2-ethylphenyl)acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-[4-keto-4-(3-phenyl-2-pyrazolin-1-yl)butanoyl]piperazin-1-ium-1-yl]acetamide Formula: C27H34N5O3+ MolecularWeight: 476.59056

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CCC(=O)N3CCC(=N3)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CCC(=O)N3CCC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C27H33N5O3/c1-2-21-8-6-7-11-23(21)28-25(33)20-30-16-18-31(19-17-30)26(34)12-13-27(35)32-15-14-24(29-32)22-9-4-3-5-10-22/h3-11H,2,12-20H2,1H3,(H,28,33)/p+1