10-(pyren-1-ylmethoxy)decyl 1-methylpyridin-1-ium-4-carboxylate iodide

Systemtic Name: 10-(pyren-1-ylmethoxy)decyl 1-methylpyridin-1-ium-4-carboxylate iodide Openeye Name: 10-(pyren-1-ylmethoxy)decyl 1-methylpyridin-1-ium-4-carboxylate iodide CAS Name: 1-methyl-4-pyridin-1-iumcarboxylic acid 10-(1-pyrenylmethoxy)decyl ester iodide IUPAC Name: 10-(pyren-1-ylmethoxy)decyl 1-methylpyridin-1-ium-4-carboxylate iodide Traditional Name: 1-methylpyridin-1-ium-4-carboxylic acid 10-(pyren-1-ylmethoxy)decyl ester iodide Formula: C34H38INO3 MolecularWeight: 635.57489

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C(=O)OCCCCCCCCCCOCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2.[I-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)C(=O)OCCCCCCCCCCOCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2.[I-]

InChI

InChI=1S/C34H38NO3.HI/c1-35-21-19-29(20-22-35)34(36)38-24-9-7-5-3-2-4-6-8-23-37-25-30-16-15-28-14-13-26-11-10-12-27-17-18-31(30)33(28)32(26)27;/h10-22H,2-9,23-25H2,1H3;1H/q+1;/p-1