10-(4-azanyl-2-methyl-quinolin-1-ium-1-yl)decyl-triethyl-azanium diiodide

Systemtic Name: 10-(4-azanyl-2-methyl-quinolin-1-ium-1-yl)decyl-triethyl-azanium diiodide Openeye Name: 10-(4-amino-2-methyl-quinolin-1-ium-1-yl)decyl-triethyl-ammonium diiodide CAS Name: 10-(4-amino-2-methyl-1-quinolin-1-iumyl)decyl-triethylammonium diiodide IUPAC Name: 10-(4-amino-2-methylquinolin-1-ium-1-yl)decyl-triethylazanium diiodide Traditional Name: 10-(4-amino-2-methyl-quinolin-1-ium-1-yl)decyl-triethyl-ammonium diiodide Formula: C26H45I2N3 MolecularWeight: 653.46454

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC)CCCCCCCCCC[N+]1=C(C=C(C2=CC=CC=C21)N)C.[I-].[I-]

Isomeric SMILES

CC[N+](CC)(CC)CCCCCCCCCC[N+]1=C(C=C(C2=CC=CC=C21)N)C.[I-].[I-]

InChI

InChI=1S/C26H44N3.2HI/c1-5-29(6-2,7-3)21-17-13-11-9-8-10-12-16-20-28-23(4)22-25(27)24-18-14-15-19-26(24)28;;/h14-15,18-19,22,27H,5-13,16-17,20-21H2,1-4H3;2*1H/q+1;;/p-1