(1-methyl-2,3,9,9a-tetrahydro-1H-indeno[2,3-b]pyridin-1-ium-9-yl) benzoate chloride

Systemtic Name: (1-methyl-2,3,9,9a-tetrahydro-1H-indeno[2,3-b]pyridin-1-ium-9-yl) benzoate chloride Openeye Name: (1-methyl-2,3,9,9a-tetrahydro-1H-indeno[2,3-b]pyridin-1-ium-9-yl) benzoate chloride CAS Name: benzoic acid (1-methyl-2,3,9,9a-tetrahydro-1H-indeno[2,3-b]pyridin-1-ium-9-yl) ester chloride IUPAC Name: (1-methyl-2,3,9,9a-tetrahydro-1H-indeno[2,3-b]pyridin-1-ium-9-yl) benzoate chloride Traditional Name: benzoic acid (1-methyl-2,3,9,9a-tetrahydro-1H-indeno[2,3-b]pyridin-1-ium-9-yl) ester chloride Formula: C20H20ClNO2 MolecularWeight: 341.8313

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC=C2C1C(C3=CC=CC=C23)OC(=O)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

C[NH+]1CCC=C2C1C(C3=CC=CC=C23)OC(=O)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C20H19NO2.ClH/c1-21-13-7-12-16-15-10-5-6-11-17(15)19(18(16)21)23-20(22)14-8-3-2-4-9-14;/h2-6,8-12,18-19H,7,13H2,1H3;1H