[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone CAS Name: [3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone Formula: C29H31N4O3+ MolecularWeight: 483.58144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C(=O)N3CC[NH+](CC3)CCOC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2C(=O)N3CC[NH+](CC3)CCOC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H30N4O3/c1-35-25-14-12-23(13-15-25)28-27(22-33(30-28)24-8-4-2-5-9-24)29(34)32-18-16-31(17-19-32)20-21-36-26-10-6-3-7-11-26/h2-15,22H,16-21H2,1H3/p+1