[(3S)-1-[(1-methylpyrazol-4-yl)methyl]-3-(2-phenoxyethyl)piperidin-1-ium-3-yl]methanol

Systemtic Name: [(3S)-1-[(1-methylpyrazol-4-yl)methyl]-3-(2-phenoxyethyl)piperidin-1-ium-3-yl]methanol Openeye Name: [(3S)-1-[(1-methylpyrazol-4-yl)methyl]-3-(2-phenoxyethyl)piperidin-1-ium-3-yl]methanol CAS Name: [(3S)-1-[(1-methyl-4-pyrazolyl)methyl]-3-(2-phenoxyethyl)-3-piperidin-1-iumyl]methanol IUPAC Name: [(3S)-1-[(1-methylpyrazol-4-yl)methyl]-3-(2-phenoxyethyl)piperidin-1-ium-3-yl]methanol Traditional Name: [(3S)-1-[(1-methylpyrazol-4-yl)methyl]-3-(2-phenoxyethyl)piperidin-1-ium-3-yl]methanol Formula: C19H28N3O2+ MolecularWeight: 330.44452

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH+]2CCCC(C2)(CCOC3=CC=CC=C3)CO

Isomeric SMILES

CN1C=C(C=N1)C[NH+]2CCC[C@@](C2)(CCOC3=CC=CC=C3)CO

InChI

InChI=1S/C19H27N3O2/c1-21-13-17(12-20-21)14-22-10-5-8-19(15-22,16-23)9-11-24-18-6-3-2-4-7-18/h2-4,6-7,12-13,23H,5,8-11,14-16H2,1H3/p+1/t19-/m0/s1