4-(4-methylphenoxy)-1-[2-(3-methylpyrazol-1-yl)ethyl]piperidin-1-ium

Systemtic Name: 4-(4-methylphenoxy)-1-[2-(3-methylpyrazol-1-yl)ethyl]piperidin-1-ium Openeye Name: 4-(4-methylphenoxy)-1-[2-(3-methylpyrazol-1-yl)ethyl]piperidin-1-ium CAS Name: 4-(4-methylphenoxy)-1-[2-(3-methyl-1-pyrazolyl)ethyl]piperidin-1-ium IUPAC Name: 4-(4-methylphenoxy)-1-[2-(3-methylpyrazol-1-yl)ethyl]piperidin-1-ium Traditional Name: 4-(4-methylphenoxy)-1-[2-(3-methylpyrazol-1-yl)ethyl]piperidin-1-ium Formula: C18H26N3O+ MolecularWeight: 300.41854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2CC[NH+](CC2)CCN3C=CC(=N3)C

Isomeric SMILES

CC1=CC=C(C=C1)OC2CC[NH+](CC2)CCN3C=CC(=N3)C

InChI

InChI=1S/C18H25N3O/c1-15-3-5-17(6-4-15)22-18-8-10-20(11-9-18)13-14-21-12-7-16(2)19-21/h3-7,12,18H,8-11,13-14H2,1-2H3/p+1