1-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-4-pyrrolidin-1-ium-1-yl-piperidin-1-ium

Systemtic Name: 1-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-4-pyrrolidin-1-ium-1-yl-piperidin-1-ium Openeye Name: 1-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-4-pyrrolidin-1-ium-1-yl-piperidin-1-ium CAS Name: 1-[[3-(3-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]-4-(1-pyrrolidin-1-iumyl)piperidin-1-ium IUPAC Name: 1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-4-pyrrolidin-1-ium-1-ylpiperidin-1-ium Traditional Name: 1-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-4-pyrrolidin-1-ium-1-yl-piperidin-1-ium Formula: C26H34N4O+2 MolecularWeight: 418.57436

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C=C2C[NH+]3CCC(CC3)[NH+]4CCCC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C=C2C[NH+]3CCC(CC3)[NH+]4CCCC4)C5=CC=CC=C5

InChI

InChI=1S/C26H32N4O/c1-31-25-11-7-8-21(18-25)26-22(20-30(27-26)24-9-3-2-4-10-24)19-28-16-12-23(13-17-28)29-14-5-6-15-29/h2-4,7-11,18,20,23H,5-6,12-17,19H2,1H3/p+2