(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (5-cyclopropyl-2-phenyl-pyrazol-3-yl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]methanone Openeye Name: (5-cyclopropyl-2-phenyl-pyrazol-3-yl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]methanone CAS Name: (5-cyclopropyl-2-phenyl-3-pyrazolyl)-[4-[2-(4-methoxyphenoxy)ethyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (5-cyclopropyl-2-phenylpyrazol-3-yl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]methanone Traditional Name: (5-cyclopropyl-2-phenyl-pyrazol-3-yl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]methanone Formula: C26H31N4O3+ MolecularWeight: 447.54934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C(=O)C3=CC(=NN3C4=CC=CC=C4)C5CC5

Isomeric SMILES

COC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C(=O)C3=CC(=NN3C4=CC=CC=C4)C5CC5

InChI

InChI=1S/C26H30N4O3/c1-32-22-9-11-23(12-10-22)33-18-17-28-13-15-29(16-14-28)26(31)25-19-24(20-7-8-20)27-30(25)21-5-3-2-4-6-21/h2-6,9-12,19-20H,7-8,13-18H2,1H3/p+1