6-ethoxy-2-[(3R)-3-oxidanylpiperidin-1-yl]quinolin-1-ium-3-carbonitrile

Systemtic Name: 6-ethoxy-2-[(3R)-3-oxidanylpiperidin-1-yl]quinolin-1-ium-3-carbonitrile Openeye Name: 6-ethoxy-2-[(3R)-3-hydroxy-1-piperidyl]quinolin-1-ium-3-carbonitrile CAS Name: 6-ethoxy-2-[(3R)-3-hydroxy-1-piperidinyl]-3-quinolin-1-iumcarbonitrile IUPAC Name: 6-ethoxy-2-[(3R)-3-hydroxypiperidin-1-yl]quinolin-1-ium-3-carbonitrile Traditional Name: 6-ethoxy-2-[(3R)-3-hydroxypiperidino]quinolin-1-ium-3-carbonitrile Formula: C17H20N3O2+ MolecularWeight: 298.3596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)N3CCCC(C3)O

Isomeric SMILES

CCOC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)N3CCC[C@H](C3)O

InChI

InChI=1S/C17H19N3O2/c1-2-22-15-5-6-16-12(9-15)8-13(10-18)17(19-16)20-7-3-4-14(21)11-20/h5-6,8-9,14,21H,2-4,7,11H2,1H3/p+1/t14-/m1/s1