[2-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]azanium

Systemtic Name: [2-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]azanium Openeye Name: [2-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]ammonium CAS Name: [2-[(2S)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]phenyl]methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]ammonium IUPAC Name: [2-[(2S)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]phenyl]methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]azanium Traditional Name: [2-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]benzyl]-[(3-phenyl-1H-pyrazol-5-yl)methyl]ammonium Formula: C25H34N4O2+2 MolecularWeight: 422.56306

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(COC2=CC=CC=C2C[NH2+]CC3=CC(=NN3)C4=CC=CC=C4)O

Isomeric SMILES

C1CC[NH+](CC1)C[C@@H](COC2=CC=CC=C2C[NH2+]CC3=CC(=NN3)C4=CC=CC=C4)O

InChI

InChI=1S/C25H32N4O2/c30-23(18-29-13-7-2-8-14-29)19-31-25-12-6-5-11-21(25)16-26-17-22-15-24(28-27-22)20-9-3-1-4-10-20/h1,3-6,9-12,15,23,26,30H,2,7-8,13-14,16-19H2,(H,27,28)/p+2/t23-/m0/s1