3-[1-[3-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]prop-1-ynyl]cyclohexyl]oxypropanenitrile

Systemtic Name: 3-[1-[3-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]prop-1-ynyl]cyclohexyl]oxypropanenitrile Openeye Name: 3-[1-[3-[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]prop-1-ynyl]cyclohexoxy]propanenitrile CAS Name: 3-[1-[3-[(2S)-2-(3-pyridinyl)-1-piperidin-1-iumyl]prop-1-ynyl]cyclohexyl]oxypropanenitrile IUPAC Name: 3-[1-[3-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]prop-1-ynyl]cyclohexyl]oxypropanenitrile Traditional Name: 3-[1-[3-[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]prop-1-ynyl]cyclohexoxy]propionitrile Formula: C22H30N3O+ MolecularWeight: 352.4931

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#CC[NH+]2CCCCC2C3=CN=CC=C3)OCCC#N

Isomeric SMILES

C1CCC(CC1)(C#CC[NH+]2CCCC[C@H]2C3=CN=CC=C3)OCCC#N

InChI

InChI=1S/C22H29N3O/c23-14-8-18-26-22(11-3-1-4-12-22)13-7-17-25-16-5-2-10-21(25)20-9-6-15-24-19-20/h6,9,15,19,21H,1-5,8,10-12,16-18H2/p+1/t21-/m0/s1