4-phenoxy-1-[10-(4-phenoxyquinolin-1-ium-1-yl)decyl]quinolin-1-ium diiodide

Systemtic Name: 4-phenoxy-1-[10-(4-phenoxyquinolin-1-ium-1-yl)decyl]quinolin-1-ium diiodide Openeye Name: 4-phenoxy-1-[10-(4-phenoxyquinolin-1-ium-1-yl)decyl]quinolin-1-ium diiodide CAS Name: 4-phenoxy-1-[10-(4-phenoxy-1-quinolin-1-iumyl)decyl]quinolin-1-ium diiodide IUPAC Name: 4-phenoxy-1-[10-(4-phenoxyquinolin-1-ium-1-yl)decyl]quinolin-1-ium diiodide Traditional Name: 4-phenoxy-1-[10-(4-phenoxyquinolin-1-ium-1-yl)decyl]quinolin-1-ium diiodide Formula: C40H42I2N2O2 MolecularWeight: 836.58262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=[N+](C3=CC=CC=C32)CCCCCCCCCC[N+]4=CC=C(C5=CC=CC=C54)OC6=CC=CC=C6.[I-].[I-]

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=[N+](C3=CC=CC=C32)CCCCCCCCCC[N+]4=CC=C(C5=CC=CC=C54)OC6=CC=CC=C6.[I-].[I-]

InChI

InChI=1S/C40H42N2O2.2HI/c1(3-5-17-29-41-31-27-39(35-23-13-15-25-37(35)41)43-33-19-9-7-10-20-33)2-4-6-18-30-42-32-28-40(36-24-14-16-26-38(36)42)44-34-21-11-8-12-22-34;;/h7-16,19-28,31-32H,1-6,17-18,29-30H2;2*1H/q+2;;/p-2