N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)acetamide CAS Name: N-(5-cyclopropyl-2-phenyl-3-pyrazolyl)-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-(5-cyclopropyl-2-phenylpyrazol-3-yl)acetamide Traditional Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)acetamide Formula: C25H30N5O+ MolecularWeight: 416.5386

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=C2)NC(=O)C[NH+]3CCN(CC3)CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC1C2=NN(C(=C2)NC(=O)C[NH+]3CCN(CC3)CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H29N5O/c31-25(19-29-15-13-28(14-16-29)18-20-7-3-1-4-8-20)26-24-17-23(21-11-12-21)27-30(24)22-9-5-2-6-10-22/h1-10,17,21H,11-16,18-19H2,(H,26,31)/p+1