[(3S)-1-but-2-ynoylpiperidin-3-yl]-ethyl-(pyridin-4-ylmethyl)azanium

Systemtic Name: [(3S)-1-but-2-ynoylpiperidin-3-yl]-ethyl-(pyridin-4-ylmethyl)azanium Openeye Name: [(3S)-1-but-2-ynoyl-3-piperidyl]-ethyl-(4-pyridylmethyl)ammonium CAS Name: ethyl-[(3S)-1-(1-oxobut-2-ynyl)-3-piperidinyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: [(3S)-1-but-2-ynoylpiperidin-3-yl]-ethyl-(pyridin-4-ylmethyl)azanium Traditional Name: [(3S)-1-but-2-ynoyl-3-piperidyl]-ethyl-(4-pyridylmethyl)ammonium Formula: C17H24N3O+ MolecularWeight: 286.39196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=NC=C1)C2CCCN(C2)C(=O)C#CC

Isomeric SMILES

CC[NH+](CC1=CC=NC=C1)[C@H]2CCCN(C2)C(=O)C#CC

InChI

InChI=1S/C17H23N3O/c1-3-6-17(21)20-12-5-7-16(14-20)19(4-2)13-15-8-10-18-11-9-15/h8-11,16H,4-5,7,12-14H2,1-2H3/p+1/t16-/m0/s1