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

Systemtic Name: 4-[[(3S)-3-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 4-[[(3S)-3-[4-(m-tolyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]phenol CAS Name: 4-[[(3S)-3-[4-(3-methylphenyl)-1H-pyrazol-5-yl]-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 4-[[(3S)-3-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]phenol Traditional Name: 4-[[(3S)-3-[4-(m-tolyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]phenol Formula: C22H26N3O+ MolecularWeight: 348.46134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=C(NN=C2)C3CCC[NH+](C3)CC4=CC=C(C=C4)O

Isomeric SMILES

CC1=CC=CC(=C1)C2=C(NN=C2)[C@H]3CCC[NH+](C3)CC4=CC=C(C=C4)O

InChI

InChI=1S/C22H25N3O/c1-16-4-2-5-18(12-16)21-13-23-24-22(21)19-6-3-11-25(15-19)14-17-7-9-20(26)10-8-17/h2,4-5,7-10,12-13,19,26H,3,6,11,14-15H2,1H3,(H,23,24)/p+1/t19-/m0/s1