cyano-[5-methoxy-2-[(1-methoxycarbonyl-2,3-dihydroindol-3-yl)methyl]pyridin-1-ium-1-yl]boranide

Systemtic Name: cyano-[5-methoxy-2-[(1-methoxycarbonyl-2,3-dihydroindol-3-yl)methyl]pyridin-1-ium-1-yl]boranide Openeye Name: cyano-[5-methoxy-2-[(1-methoxycarbonylindolin-3-yl)methyl]pyridin-1-ium-1-yl]boranide CAS Name: cyano-[5-methoxy-2-[(1-methoxycarbonyl-2,3-dihydroindol-3-yl)methyl]-1-pyridin-1-iumyl]boranide IUPAC Name: cyano-[5-methoxy-2-[(1-methoxycarbonyl-2,3-dihydroindol-3-yl)methyl]pyridin-1-ium-1-yl]boranide Traditional Name: [2-[(1-carbomethoxyindolin-3-yl)methyl]-5-methoxy-pyridin-1-ium-1-yl]-cyano-boranide Formula: C18H18BN3O3 MolecularWeight: 335.16482

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Descriptors Computed from Structure

Canonical SMILES:

[B-](C#N)[N+]1=C(C=CC(=C1)OC)CC2CN(C3=CC=CC=C23)C(=O)OC

Isomeric SMILES

[B-](C#N)[N+]1=C(C=CC(=C1)OC)CC2CN(C3=CC=CC=C23)C(=O)OC

InChI

InChI=1S/C18H18BN3O3/c1-24-15-8-7-14(22(11-15)19-12-20)9-13-10-21(18(23)25-2)17-6-4-3-5-16(13)17/h3-8,11,13H,9-10H2,1-2H3