methyl 3-(2,3-dihydro-1H-cyclopenta[b]quinolin-4-ium-9-ylamino)benzoate chloride

Systemtic Name: methyl 3-(2,3-dihydro-1H-cyclopenta[b]quinolin-4-ium-9-ylamino)benzoate chloride Openeye Name: methyl 3-(2,3-dihydro-1H-cyclopenta[b]quinolin-4-ium-9-ylamino)benzoate chloride CAS Name: 3-(2,3-dihydro-1H-cyclopenta[b]quinolin-4-ium-9-ylamino)benzoic acid methyl ester chloride IUPAC Name: methyl 3-(2,3-dihydro-1H-cyclopenta[b]quinolin-4-ium-9-ylamino)benzoate chloride Traditional Name: 3-(2,3-dihydro-1H-cyclopenta[b]quinolin-4-ium-9-ylamino)benzoic acid methyl ester chloride Formula: C20H19ClN2O2 MolecularWeight: 354.83006

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC2=C3CCCC3=[NH+]C4=CC=CC=C42.[Cl-]

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC2=C3CCCC3=[NH+]C4=CC=CC=C42.[Cl-]

InChI

InChI=1S/C20H18N2O2.ClH/c1-24-20(23)13-6-4-7-14(12-13)21-19-15-8-2-3-10-17(15)22-18-11-5-9-16(18)19;/h2-4,6-8,10,12H,5,9,11H2,1H3,(H,21,22);1H