(3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(2-methylpropyl)piperidin-1-ium

Systemtic Name: (3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(2-methylpropyl)piperidin-1-ium Openeye Name: (3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-isobutyl-piperidin-1-ium CAS Name: (3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(2-methylpropyl)piperidin-1-ium IUPAC Name: (3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(2-methylpropyl)piperidin-1-ium Traditional Name: (3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-isobutyl-piperidin-1-ium Formula: C18H25ClN3+ MolecularWeight: 318.8642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCCC(C1)C2=C(C=NN2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)C[NH+]1CCC[C@@H](C1)C2=C(C=NN2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H24ClN3/c1-13(2)11-22-9-3-4-15(12-22)18-17(10-20-21-18)14-5-7-16(19)8-6-14/h5-8,10,13,15H,3-4,9,11-12H2,1-2H3,(H,20,21)/p+1/t15-/m0/s1