2-(6-tert-butyl-2-pyrrolidin-1-yl-quinolin-1-ium-3-yl)ethanenitrile

Systemtic Name: 2-(6-tert-butyl-2-pyrrolidin-1-yl-quinolin-1-ium-3-yl)ethanenitrile Openeye Name: 2-(6-tert-butyl-2-pyrrolidin-1-yl-quinolin-1-ium-3-yl)acetonitrile CAS Name: 2-[6-tert-butyl-2-(1-pyrrolidinyl)-3-quinolin-1-iumyl]acetonitrile IUPAC Name: 2-(6-tert-butyl-2-pyrrolidin-1-ylquinolin-1-ium-3-yl)acetonitrile Traditional Name: 2-(6-tert-butyl-2-pyrrolidino-quinolin-1-ium-3-yl)acetonitrile Formula: C19H24N3+ MolecularWeight: 294.41396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=CC(=C([NH+]=C2C=C1)N3CCCC3)CC#N

Isomeric SMILES

CC(C)(C)C1=CC2=CC(=C([NH+]=C2C=C1)N3CCCC3)CC#N

InChI

InChI=1S/C19H23N3/c1-19(2,3)16-6-7-17-15(13-16)12-14(8-9-20)18(21-17)22-10-4-5-11-22/h6-7,12-13H,4-5,8,10-11H2,1-3H3/p+1