methyl 5-phenylmethoxy-1-(9-pyridin-1-ium-1-ylnonyl)indole-2-carboxylate

Systemtic Name: methyl 5-phenylmethoxy-1-(9-pyridin-1-ium-1-ylnonyl)indole-2-carboxylate Openeye Name: methyl 5-benzyloxy-1-(9-pyridin-1-ium-1-ylnonyl)indole-2-carboxylate CAS Name: 5-phenylmethoxy-1-[9-(1-pyridin-1-iumyl)nonyl]-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 5-phenylmethoxy-1-(9-pyridin-1-ium-1-ylnonyl)indole-2-carboxylate Traditional Name: 5-benzoxy-1-(9-pyridin-1-ium-1-ylnonyl)indole-2-carboxylic acid methyl ester Formula: C31H37N2O3+ MolecularWeight: 485.63708

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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

Isomeric SMILES

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

InChI

InChI=1S/C31H37N2O3/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/h7-10,12-13,15-18,20-21,23-24H,2-6,11,14,19,22,25H2,1H3/q+1