1-cyclohexyl-3-methyl-2-pyridin-2-yl-3H-pyrrolo[3,2-b]pyridin-1-ium-5-carboxylic acid

Systemtic Name: 1-cyclohexyl-3-methyl-2-pyridin-2-yl-3H-pyrrolo[3,2-b]pyridin-1-ium-5-carboxylic acid Openeye Name: 1-cyclohexyl-3-methyl-2-(2-pyridyl)-3H-pyrrolo[3,2-b]pyridin-1-ium-5-carboxylic acid CAS Name: 1-cyclohexyl-3-methyl-2-(2-pyridinyl)-3H-pyrrolo[3,2-b]pyridin-1-ium-5-carboxylic acid IUPAC Name: 1-cyclohexyl-3-methyl-2-pyridin-2-yl-3H-pyrrolo[3,2-b]pyridin-1-ium-5-carboxylic acid Traditional Name: 1-cyclohexyl-3-methyl-2-(2-pyridyl)-3H-pyrrolo[3,2-b]pyridin-1-ium-5-carboxylic acid Formula: C20H22N3O2+ MolecularWeight: 336.40758

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(C=CC(=N2)C(=O)O)[N+](=C1C3=CC=CC=N3)C4CCCCC4

Isomeric SMILES

CC1C2=C(C=CC(=N2)C(=O)O)[N+](=C1C3=CC=CC=N3)C4CCCCC4

InChI

InChI=1S/C20H21N3O2/c1-13-18-17(11-10-16(22-18)20(24)25)23(14-7-3-2-4-8-14)19(13)15-9-5-6-12-21-15/h5-6,9-14H,2-4,7-8H2,1H3/p+1