methyl 5-phenylmethoxy-1-(9-pyridin-1-ium-1-ylnonyl)indole-2-carboxylate; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: methyl 5-phenylmethoxy-1-(9-pyridin-1-ium-1-ylnonyl)indole-2-carboxylate; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: methyl 5-benzyloxy-1-(9-pyridin-1-ium-1-ylnonyl)indole-2-carboxylate; 2,2,2-trifluoroacetate CAS Name: 5-phenylmethoxy-1-[9-(1-pyridin-1-iumyl)nonyl]-2-indolecarboxylic acid methyl ester; 2,2,2-trifluoroacetate IUPAC Name: methyl 5-phenylmethoxy-1-(9-pyridin-1-ium-1-ylnonyl)indole-2-carboxylate; 2,2,2-trifluoroacetate Traditional Name: 5-benzoxy-1-(9-pyridin-1-ium-1-ylnonyl)indole-2-carboxylic acid methyl ester; 2,2,2-trifluoroacetate Formula: C33H37F3N2O5 MolecularWeight: 598.65249

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(N1CCCCCCCCC[N+]3=CC=CC=C3)C=CC(=C2)OCC4=CC=CC=C4.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

COC(=O)C1=CC2=C(N1CCCCCCCCC[N+]3=CC=CC=C3)C=CC(=C2)OCC4=CC=CC=C4.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C31H37N2O3.C2HF3O2/c1-35-31(34)30-24-27-23-28(36-25-26-15-9-7-10-16-26)17-18-29(27)33(30)22-14-6-4-2-3-5-11-19-32-20-12-8-13-21-32;3-2(4,5)1(6)7/h7-10,12-13,15-18,20-21,23-24H,2-6,11,14,19,22,25H2,1H3;(H,6,7)/q+1;/p-1