1-dodecyl-2-methyl-quinolin-1-ium-4-amine

Systemtic Name: 1-dodecyl-2-methyl-quinolin-1-ium-4-amine Openeye Name: 1-dodecyl-2-methyl-quinolin-1-ium-4-amine CAS Name: 1-dodecyl-2-methyl-4-quinolin-1-iumamine IUPAC Name: 1-dodecyl-2-methylquinolin-1-ium-4-amine Traditional Name: (1-lauryl-2-methyl-quinolin-1-ium-4-yl)amine Formula: C22H35N2+ MolecularWeight: 327.5267

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1=C(C=C(C2=CC=CC=C21)N)C

Isomeric SMILES

CCCCCCCCCCCC[N+]1=C(C=C(C2=CC=CC=C21)N)C

InChI

InChI=1S/C22H34N2/c1-3-4-5-6-7-8-9-10-11-14-17-24-19(2)18-21(23)20-15-12-13-16-22(20)24/h12-13,15-16,18,23H,3-11,14,17H2,1-2H3/p+1