4-[2-[(2S)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-1-ium-2-yl]ethyl]phenol

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)C[NH+]2CCCCC2CCC3=CC=C(C=C3)O

Isomeric SMILES

CN1C(=CC=N1)C[NH+]2CCCC[C@H]2CCC3=CC=C(C=C3)O

InChI

InChI=1S/C18H25N3O/c1-20-17(11-12-19-20)14-21-13-3-2-4-16(21)8-5-15-6-9-18(22)10-7-15/h6-7,9-12,16,22H,2-5,8,13-14H2,1H3/p+1/t16-/m0/s1