[3-(4-ethylphenyl)-1-phenyl-pyrazol-4-yl]-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]methanone

Systemtic Name: [3-(4-ethylphenyl)-1-phenyl-pyrazol-4-yl]-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]methanone Openeye Name: [3-(4-ethylphenyl)-1-phenyl-pyrazol-4-yl]-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]methanone CAS Name: [3-(4-ethylphenyl)-1-phenyl-4-pyrazolyl]-[4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazinyl]methanone IUPAC Name: [3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]methanone Traditional Name: [3-(4-ethylphenyl)-1-phenyl-pyrazol-4-yl]-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazino]methanone Formula: C28H36N5O+ MolecularWeight: 458.61834

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(C=C2C(=O)N3CCN(CC3)CC[NH+]4CCCC4)C5=CC=CC=C5

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(C=C2C(=O)N3CCN(CC3)CC[NH+]4CCCC4)C5=CC=CC=C5

InChI

InChI=1S/C28H35N5O/c1-2-23-10-12-24(13-11-23)27-26(22-33(29-27)25-8-4-3-5-9-25)28(34)32-20-18-31(19-21-32)17-16-30-14-6-7-15-30/h3-5,8-13,22H,2,6-7,14-21H2,1H3/p+1