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

Systemtic Name: 1-dodecyl-2-methyl-quinolin-1-ium-4-amine ethanoate Openeye Name: 1-dodecyl-2-methyl-quinolin-1-ium-4-amine acetate CAS Name: 1-dodecyl-2-methyl-4-quinolin-1-iumamine acetate IUPAC Name: 1-dodecyl-2-methylquinolin-1-ium-4-amine acetate Traditional Name: (1-lauryl-2-methyl-quinolin-1-ium-4-yl)amine acetate Formula: C24H38N2O2 MolecularWeight: 386.57072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N2.C2H4O2/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;1-2(3)4/h12-13,15-16,18,23H,3-11,14,17H2,1-2H3;1H3,(H,3,4)