3-[(7-chloranylquinolin-1-ium-4-yl)amino]propylazanium

Systemtic Name: 3-[(7-chloranylquinolin-1-ium-4-yl)amino]propylazanium Openeye Name: 3-[(7-chloroquinolin-1-ium-4-yl)amino]propylammonium CAS Name: 3-[(7-chloro-4-quinolin-1-iumyl)amino]propylammonium IUPAC Name: 3-[(7-chloroquinolin-1-ium-4-yl)amino]propylazanium Traditional Name: 3-[(7-chloroquinolin-1-ium-4-yl)amino]propylammonium Formula: C12H16ClN3+2 MolecularWeight: 237.72854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C[NH+]=C2C=C1Cl)NCCC[NH3+]

Isomeric SMILES

C1=CC2=C(C=C[NH+]=C2C=C1Cl)NCCC[NH3+]

InChI

InChI=1S/C12H14ClN3/c13-9-2-3-10-11(15-6-1-5-14)4-7-16-12(10)8-9/h2-4,7-8H,1,5-6,14H2,(H,15,16)/p+2