2-[[(3S)-3-(4-naphthalen-1-yl-1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]phenol

Systemtic Name: 2-[[(3S)-3-(4-naphthalen-1-yl-1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 2-[[(3S)-3-[4-(1-naphthyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]phenol CAS Name: 2-[[(3S)-3-[4-(1-naphthalenyl)-1H-pyrazol-5-yl]-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 2-[[(3S)-3-(4-naphthalen-1-yl-1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]phenol Traditional Name: 2-[[(3S)-3-[4-(1-naphthyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]phenol Formula: C25H26N3O+ MolecularWeight: 384.49344

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=C2O)C3=C(C=NN3)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=C2O)C3=C(C=NN3)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C25H25N3O/c29-24-13-4-2-8-19(24)16-28-14-6-10-20(17-28)25-23(15-26-27-25)22-12-5-9-18-7-1-3-11-21(18)22/h1-5,7-9,11-13,15,20,29H,6,10,14,16-17H2,(H,26,27)/p+1/t20-/m0/s1