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

Systemtic Name: (3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-propyl-piperidin-1-ium Openeye Name: (3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-propyl-piperidin-1-ium CAS Name: (3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-propylpiperidin-1-ium IUPAC Name: (3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-propylpiperidin-1-ium Traditional Name: (3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-propyl-piperidin-1-ium Formula: C17H23ClN3+ MolecularWeight: 304.83762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22ClN3/c1-2-9-21-10-3-4-14(12-21)17-16(11-19-20-17)13-5-7-15(18)8-6-13/h5-8,11,14H,2-4,9-10,12H2,1H3,(H,19,20)/p+1/t14-/m0/s1