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

Systemtic Name: methyl 5-phenylmethoxy-1-(5-pyridin-1-ium-1-ylpentyl)indole-2-carboxylate Openeye Name: methyl 5-benzyloxy-1-(5-pyridin-1-ium-1-ylpentyl)indole-2-carboxylate CAS Name: 5-phenylmethoxy-1-[5-(1-pyridin-1-iumyl)pentyl]-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 5-phenylmethoxy-1-(5-pyridin-1-ium-1-ylpentyl)indole-2-carboxylate Traditional Name: 5-benzoxy-1-(5-pyridin-1-ium-1-ylpentyl)indole-2-carboxylic acid methyl ester Formula: C27H29N2O3+ MolecularWeight: 429.53076

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(N1CCCCC[N+]3=CC=CC=C3)C=CC(=C2)OCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(N1CCCCC[N+]3=CC=CC=C3)C=CC(=C2)OCC4=CC=CC=C4

InChI

InChI=1S/C27H29N2O3/c1-31-27(30)26-20-23-19-24(32-21-22-11-5-2-6-12-22)13-14-25(23)29(26)18-10-4-9-17-28-15-7-3-8-16-28/h2-3,5-8,11-16,19-20H,4,9-10,17-18,21H2,1H3/q+1