(3S)-3-methoxy-1-[(3-propyl-1H-pyrazol-5-yl)methyl]piperidin-1-ium

Systemtic Name: (3S)-3-methoxy-1-[(3-propyl-1H-pyrazol-5-yl)methyl]piperidin-1-ium Openeye Name: (3S)-3-methoxy-1-[(3-propyl-1H-pyrazol-5-yl)methyl]piperidin-1-ium CAS Name: (3S)-3-methoxy-1-[(3-propyl-1H-pyrazol-5-yl)methyl]piperidin-1-ium IUPAC Name: (3S)-3-methoxy-1-[(3-propyl-1H-pyrazol-5-yl)methyl]piperidin-1-ium Traditional Name: (3S)-3-methoxy-1-[(3-propyl-1H-pyrazol-5-yl)methyl]piperidin-1-ium Formula: C13H24N3O+ MolecularWeight: 238.34916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=C1)C[NH+]2CCCC(C2)OC

Isomeric SMILES

CCCC1=NNC(=C1)C[NH+]2CCC[C@@H](C2)OC

InChI

InChI=1S/C13H23N3O/c1-3-5-11-8-12(15-14-11)9-16-7-4-6-13(10-16)17-2/h8,13H,3-7,9-10H2,1-2H3,(H,14,15)/p+1/t13-/m0/s1