propan-2-yl (9S)-2-chloranyl-9-piperidin-1-ium-1-yl-fluorene-9-carboxylate

Systemtic Name: propan-2-yl (9S)-2-chloranyl-9-piperidin-1-ium-1-yl-fluorene-9-carboxylate Openeye Name: isopropyl (9S)-2-chloro-9-piperidin-1-ium-1-yl-fluorene-9-carboxylate CAS Name: (9S)-2-chloro-9-(1-piperidin-1-iumyl)-9-fluorenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (9S)-2-chloro-9-piperidin-1-ium-1-ylfluorene-9-carboxylate Traditional Name: (9S)-2-chloro-9-piperidin-1-ium-1-yl-fluorene-9-carboxylic acid isopropyl ester Formula: C22H25ClNO2+ MolecularWeight: 370.8924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1(C2=CC=CC=C2C3=C1C=C(C=C3)Cl)[NH+]4CCCCC4

Isomeric SMILES

CC(C)OC(=O)[C@@]1(C2=CC=CC=C2C3=C1C=C(C=C3)Cl)[NH+]4CCCCC4

InChI

InChI=1S/C22H24ClNO2/c1-15(2)26-21(25)22(24-12-6-3-7-13-24)19-9-5-4-8-17(19)18-11-10-16(23)14-20(18)22/h4-5,8-11,14-15H,3,6-7,12-13H2,1-2H3/p+1/t22-/m0/s1