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

Systemtic Name: 4-methoxy-2-[[(3S)-3-(4-naphthalen-1-yl-1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 4-methoxy-2-[[(3S)-3-[4-(1-naphthyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]phenol CAS Name: 4-methoxy-2-[[(3S)-3-[4-(1-naphthalenyl)-1H-pyrazol-5-yl]-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 4-methoxy-2-[[(3S)-3-(4-naphthalen-1-yl-1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]phenol Traditional Name: 4-methoxy-2-[[(3S)-3-[4-(1-naphthyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]phenol Formula: C26H28N3O2+ MolecularWeight: 414.51942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)O)C[NH+]2CCCC(C2)C3=C(C=NN3)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

COC1=CC(=C(C=C1)O)C[NH+]2CCC[C@@H](C2)C3=C(C=NN3)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C26H27N3O2/c1-31-21-11-12-25(30)20(14-21)17-29-13-5-8-19(16-29)26-24(15-27-28-26)23-10-4-7-18-6-2-3-9-22(18)23/h2-4,6-7,9-12,14-15,19,30H,5,8,13,16-17H2,1H3,(H,27,28)/p+1/t19-/m0/s1