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

Systemtic Name: methyl 5-phenylmethoxy-1-(pyridin-1-ium-1-ylmethyl)indole-2-carboxylate Openeye Name: methyl 5-benzyloxy-1-(pyridin-1-ium-1-ylmethyl)indole-2-carboxylate CAS Name: 5-phenylmethoxy-1-(1-pyridin-1-iumylmethyl)-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 5-phenylmethoxy-1-(pyridin-1-ium-1-ylmethyl)indole-2-carboxylate Traditional Name: 5-benzoxy-1-(pyridin-1-ium-1-ylmethyl)indole-2-carboxylic acid methyl ester Formula: C23H21N2O3+ MolecularWeight: 373.42444

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(N1C[N+]3=CC=CC=C3)C=CC(=C2)OCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(N1C[N+]3=CC=CC=C3)C=CC(=C2)OCC4=CC=CC=C4

InChI

InChI=1S/C23H21N2O3/c1-27-23(26)22-15-19-14-20(28-16-18-8-4-2-5-9-18)10-11-21(19)25(22)17-24-12-6-3-7-13-24/h2-15H,16-17H2,1H3/q+1