[(3R)-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methylazanium

Systemtic Name: [(3R)-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methylazanium Openeye Name: [(3R)-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methylammonium CAS Name: [(3R)-1-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]methylammonium IUPAC Name: [(3R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methylazanium Traditional Name: [(3R)-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methylammonium Formula: C14H28N4+2 MolecularWeight: 252.39892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)C[NH+]2CCCC(C2)C[NH3+])C

Isomeric SMILES

CCN1C(=C(C(=N1)C)C[NH+]2CCC[C@@H](C2)C[NH3+])C

InChI

InChI=1S/C14H26N4/c1-4-18-12(3)14(11(2)16-18)10-17-7-5-6-13(8-15)9-17/h13H,4-10,15H2,1-3H3/p+2/t13-/m1/s1