[(3S)-1-[[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]methanol

Systemtic Name: [(3S)-1-[[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]methanol Openeye Name: [(3S)-1-[[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]methanol CAS Name: [(3S)-1-[[3-(3-chlorophenyl)-1-methyl-4-pyrazolyl]methyl]-3-piperidin-1-iumyl]methanol IUPAC Name: [(3S)-1-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-1-ium-3-yl]methanol Traditional Name: [(3S)-1-[[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]methanol Formula: C17H23ClN3O+ MolecularWeight: 320.83702

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC(=CC=C2)Cl)C[NH+]3CCCC(C3)CO

Isomeric SMILES

CN1C=C(C(=N1)C2=CC(=CC=C2)Cl)C[NH+]3CCC[C@@H](C3)CO

InChI

InChI=1S/C17H22ClN3O/c1-20-10-15(11-21-7-3-4-13(9-21)12-22)17(19-20)14-5-2-6-16(18)8-14/h2,5-6,8,10,13,22H,3-4,7,9,11-12H2,1H3/p+1/t13-/m0/s1