4-(3-chloranylphenoxy)-1-(2-pyrazol-1-ylethyl)piperidin-1-ium

Systemtic Name: 4-(3-chloranylphenoxy)-1-(2-pyrazol-1-ylethyl)piperidin-1-ium Openeye Name: 4-(3-chlorophenoxy)-1-(2-pyrazol-1-ylethyl)piperidin-1-ium CAS Name: 4-(3-chlorophenoxy)-1-[2-(1-pyrazolyl)ethyl]piperidin-1-ium IUPAC Name: 4-(3-chlorophenoxy)-1-(2-pyrazol-1-ylethyl)piperidin-1-ium Traditional Name: 4-(3-chlorophenoxy)-1-(2-pyrazol-1-ylethyl)piperidin-1-ium Formula: C16H21ClN3O+ MolecularWeight: 306.81044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1OC2=CC(=CC=C2)Cl)CCN3C=CC=N3

Isomeric SMILES

C1C[NH+](CCC1OC2=CC(=CC=C2)Cl)CCN3C=CC=N3

InChI

InChI=1S/C16H20ClN3O/c17-14-3-1-4-16(13-14)21-15-5-9-19(10-6-15)11-12-20-8-2-7-18-20/h1-4,7-8,13,15H,5-6,9-12H2/p+1