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

Systemtic Name: [(3R)-1-[(1-methylpyrazol-4-yl)methyl]-3-phenethyl-piperidin-1-ium-3-yl]methanol Openeye Name: [(3R)-1-[(1-methylpyrazol-4-yl)methyl]-3-phenethyl-piperidin-1-ium-3-yl]methanol CAS Name: [(3R)-1-[(1-methyl-4-pyrazolyl)methyl]-3-phenethyl-3-piperidin-1-iumyl]methanol IUPAC Name: [(3R)-1-[(1-methylpyrazol-4-yl)methyl]-3-phenethylpiperidin-1-ium-3-yl]methanol Traditional Name: [(3R)-1-[(1-methylpyrazol-4-yl)methyl]-3-phenethyl-piperidin-1-ium-3-yl]methanol Formula: C19H28N3O+ MolecularWeight: 314.44512

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH+]2CCCC(C2)(CCC3=CC=CC=C3)CO

Isomeric SMILES

CN1C=C(C=N1)C[NH+]2CCC[C@@](C2)(CCC3=CC=CC=C3)CO

InChI

InChI=1S/C19H27N3O/c1-21-13-18(12-20-21)14-22-11-5-9-19(15-22,16-23)10-8-17-6-3-2-4-7-17/h2-4,6-7,12-13,23H,5,8-11,14-16H2,1H3/p+1/t19-/m0/s1