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

Systemtic Name: N-cyclopropyl-2-[4-[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-[2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl]piperazin-1-ium-1-yl]acetamide Formula: C20H28N5O2+ MolecularWeight: 370.46862

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)CC(=O)N3CCC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)CC(=O)N3CCC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C20H27N5O2/c26-19(21-17-6-7-17)14-23-10-12-24(13-11-23)15-20(27)25-9-8-18(22-25)16-4-2-1-3-5-16/h1-5,17H,6-15H2,(H,21,26)/p+1