3-(7-methyl-2-piperidin-1-yl-quinolin-1-ium-3-yl)propanenitrile

Systemtic Name: 3-(7-methyl-2-piperidin-1-yl-quinolin-1-ium-3-yl)propanenitrile Openeye Name: 3-[7-methyl-2-(1-piperidyl)quinolin-1-ium-3-yl]propanenitrile CAS Name: 3-[7-methyl-2-(1-piperidinyl)-3-quinolin-1-iumyl]propanenitrile IUPAC Name: 3-(7-methyl-2-piperidin-1-ylquinolin-1-ium-3-yl)propanenitrile Traditional Name: 3-(7-methyl-2-piperidino-quinolin-1-ium-3-yl)propionitrile Formula: C18H22N3+ MolecularWeight: 280.38738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=[NH+]C(=C(C=C2C=C1)CCC#N)N3CCCCC3

Isomeric SMILES

CC1=CC2=[NH+]C(=C(C=C2C=C1)CCC#N)N3CCCCC3

InChI

InChI=1S/C18H21N3/c1-14-7-8-15-13-16(6-5-9-19)18(20-17(15)12-14)21-10-3-2-4-11-21/h7-8,12-13H,2-6,10-11H2,1H3/p+1