[(3R)-1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-3-phenethyl-piperidin-1-ium-3-yl]methanol

Systemtic Name: [(3R)-1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-3-phenethyl-piperidin-1-ium-3-yl]methanol Openeye Name: [(3R)-1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-3-phenethyl-piperidin-1-ium-3-yl]methanol CAS Name: [(3R)-1-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-3-phenethyl-3-piperidin-1-iumyl]methanol IUPAC Name: [(3R)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-phenethylpiperidin-1-ium-3-yl]methanol Traditional Name: [(3R)-1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-3-phenethyl-piperidin-1-ium-3-yl]methanol Formula: C21H32N3O+ MolecularWeight: 342.49828

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C[NH+]2CCCC(C2)(CCC3=CC=CC=C3)CO

Isomeric SMILES

CCN1C=C(C(=N1)C)C[NH+]2CCC[C@@](C2)(CCC3=CC=CC=C3)CO

InChI

InChI=1S/C21H31N3O/c1-3-24-15-20(18(2)22-24)14-23-13-7-11-21(16-23,17-25)12-10-19-8-5-4-6-9-19/h4-6,8-9,15,25H,3,7,10-14,16-17H2,1-2H3/p+1/t21-/m0/s1