methyl 4-phenylmethoxy-1-(5-pyridin-1-ium-1-ylpentyl)indole-2-carboxylate

Systemtic Name: methyl 4-phenylmethoxy-1-(5-pyridin-1-ium-1-ylpentyl)indole-2-carboxylate Openeye Name: methyl 4-benzyloxy-1-(5-pyridin-1-ium-1-ylpentyl)indole-2-carboxylate CAS Name: 4-phenylmethoxy-1-[5-(1-pyridin-1-iumyl)pentyl]-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 4-phenylmethoxy-1-(5-pyridin-1-ium-1-ylpentyl)indole-2-carboxylate Traditional Name: 4-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=C2OCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(N1CCCCC[N+]3=CC=CC=C3)C=CC=C2OCC4=CC=CC=C4

InChI

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