4-[3-[(3R,4S)-3,4-dimethylpiperidin-1-ium-1-yl]propoxy]benzenecarbonitrile

Systemtic Name: 4-[3-[(3R,4S)-3,4-dimethylpiperidin-1-ium-1-yl]propoxy]benzenecarbonitrile Openeye Name: 4-[3-[(3R,4S)-3,4-dimethylpiperidin-1-ium-1-yl]propoxy]benzonitrile CAS Name: 4-[3-[(3R,4S)-3,4-dimethyl-1-piperidin-1-iumyl]propoxy]benzonitrile IUPAC Name: 4-[3-[(3R,4S)-3,4-dimethylpiperidin-1-ium-1-yl]propoxy]benzonitrile Traditional Name: 4-[3-[(3R,4S)-3,4-dimethylpiperidin-1-ium-1-yl]propoxy]benzonitrile Formula: C17H25N2O+ MolecularWeight: 273.3932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1C)CCCOC2=CC=C(C=C2)C#N

Isomeric SMILES

C[C@H]1CC[NH+](C[C@@H]1C)CCCOC2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H24N2O/c1-14-8-10-19(13-15(14)2)9-3-11-20-17-6-4-16(12-18)5-7-17/h4-7,14-15H,3,8-11,13H2,1-2H3/p+1/t14-,15-/m0/s1