[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-[[(3S)-1-methylpiperidin-1-ium-3-yl]methyl]azanium

Systemtic Name: [3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-[[(3S)-1-methylpiperidin-1-ium-3-yl]methyl]azanium Openeye Name: [3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-[[(3S)-1-methylpiperidin-1-ium-3-yl]methyl]ammonium CAS Name: [3-(3-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl-methyl-[[(3S)-1-methyl-3-piperidin-1-iumyl]methyl]ammonium IUPAC Name: [3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl-methyl-[[(3S)-1-methylpiperidin-1-ium-3-yl]methyl]azanium Traditional Name: [3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-[[(3S)-1-methylpiperidin-1-ium-3-yl]methyl]ammonium Formula: C25H34N4O+2 MolecularWeight: 406.56366

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)C[NH+](C)CC2=CN(N=C2C3=CC(=CC=C3)OC)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCC[C@@H](C1)C[NH+](C)CC2=CN(N=C2C3=CC(=CC=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C25H32N4O/c1-27-14-8-9-20(16-27)17-28(2)18-22-19-29(23-11-5-4-6-12-23)26-25(22)21-10-7-13-24(15-21)30-3/h4-7,10-13,15,19-20H,8-9,14,16-18H2,1-3H3/p+2/t20-/m0/s1