(3R)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(phenylmethyl)piperidin-1-ium

Systemtic Name: (3R)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(phenylmethyl)piperidin-1-ium Openeye Name: (3R)-1-benzyl-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-ium CAS Name: (3R)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(phenylmethyl)piperidin-1-ium IUPAC Name: (3R)-1-benzyl-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-ium Traditional Name: (3R)-1-benzyl-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-ium Formula: C21H23ClN3+ MolecularWeight: 352.88042

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=C2)C3=C(C=NN3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1C[C@H](C[NH+](C1)CC2=CC=CC=C2)C3=C(C=NN3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H22ClN3/c22-19-10-8-17(9-11-19)20-13-23-24-21(20)18-7-4-12-25(15-18)14-16-5-2-1-3-6-16/h1-3,5-6,8-11,13,18H,4,7,12,14-15H2,(H,23,24)/p+1/t18-/m1/s1