[3-(2,5-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]methanone

Systemtic Name: [3-(2,5-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]methanone Openeye Name: [3-(2,5-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]methanone CAS Name: [3-(2,5-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]-[4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazinyl]methanone IUPAC Name: [3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]methanone Traditional Name: [3-(2,5-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazino]methanone Formula: C28H36N5O3+ MolecularWeight: 490.61714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2=NN(C=C2C(=O)N3CCN(CC3)CC[NH+]4CCCC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2=NN(C=C2C(=O)N3CCN(CC3)CC[NH+]4CCCC4)C5=CC=CC=C5

InChI

InChI=1S/C28H35N5O3/c1-35-23-10-11-26(36-2)24(20-23)27-25(21-33(29-27)22-8-4-3-5-9-22)28(34)32-18-16-31(17-19-32)15-14-30-12-6-7-13-30/h3-5,8-11,20-21H,6-7,12-19H2,1-2H3/p+1