7-(2-methoxyethoxymethyl)-2,3,3-trimethyl-5-phenyl-pyrrolo[2,3-b]pyridin-7-ium chloride

Systemtic Name: 7-(2-methoxyethoxymethyl)-2,3,3-trimethyl-5-phenyl-pyrrolo[2,3-b]pyridin-7-ium chloride Openeye Name: 7-(2-methoxyethoxymethyl)-2,3,3-trimethyl-5-phenyl-pyrrolo[2,3-b]pyridin-7-ium chloride CAS Name: 7-(2-methoxyethoxymethyl)-2,3,3-trimethyl-5-phenylpyrrolo[2,3-b]pyridin-7-ium chloride IUPAC Name: 7-(2-methoxyethoxymethyl)-2,3,3-trimethyl-5-phenylpyrrolo[2,3-b]pyridin-7-ium chloride Traditional Name: 7-(2-methoxyethoxymethyl)-2,3,3-trimethyl-5-phenyl-pyrrolo[2,3-b]pyridin-7-ium chloride Formula: C20H25ClN2O2 MolecularWeight: 360.8777

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C1(C)C)C=C(C=[N+]2COCCOC)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC1=NC2=C(C1(C)C)C=C(C=[N+]2COCCOC)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C20H25N2O2.ClH/c1-15-20(2,3)18-12-17(16-8-6-5-7-9-16)13-22(19(18)21-15)14-24-11-10-23-4;/h5-9,12-13H,10-11,14H2,1-4H3;1H/q+1;/p-1