N,N'-bis(1-methylquinolin-1-ium-4-yl)octane-1,8-diamine diiodide

Systemtic Name: N,N'-bis(1-methylquinolin-1-ium-4-yl)octane-1,8-diamine diiodide Openeye Name: N,N'-bis(1-methylquinolin-1-ium-4-yl)octane-1,8-diamine diiodide CAS Name: N,N'-bis(1-methyl-4-quinolin-1-iumyl)octane-1,8-diamine diiodide IUPAC Name: N,N'-bis(1-methylquinolin-1-ium-4-yl)octane-1,8-diamine diiodide Traditional Name: (1-methylquinolin-1-ium-4-yl)-[8-[(1-methylquinolin-1-ium-4-yl)amino]octyl]amine diiodide Formula: C28H36I2N4 MolecularWeight: 682.42118

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C2=CC=CC=C21)NCCCCCCCCNC3=CC=[N+](C4=CC=CC=C34)C.[I-].[I-]

Isomeric SMILES

C[N+]1=CC=C(C2=CC=CC=C21)NCCCCCCCCNC3=CC=[N+](C4=CC=CC=C34)C.[I-].[I-]

InChI

InChI=1S/C28H34N4.2HI/c1-31-21-17-25(23-13-7-9-15-27(23)31)29-19-11-5-3-4-6-12-20-30-26-18-22-32(2)28-16-10-8-14-24(26)28;;/h7-10,13-18,21-22H,3-6,11-12,19-20H2,1-2H3;2*1H