4-chloranyl-2,2-diethyl-9-prop-1-en-2-yl-1,3-dihydrobenzo[f]isoindol-2-ium chloride

Systemtic Name: 4-chloranyl-2,2-diethyl-9-prop-1-en-2-yl-1,3-dihydrobenzo[f]isoindol-2-ium chloride Openeye Name: 4-chloro-2,2-diethyl-9-isopropenyl-1,3-dihydrobenzo[f]isoindol-2-ium chloride CAS Name: 4-chloro-2,2-diethyl-9-(1-methylethenyl)-1,3-dihydrobenzo[f]isoindol-2-ium chloride IUPAC Name: 4-chloro-2,2-diethyl-9-prop-1-en-2-yl-1,3-dihydrobenzo[f]isoindol-2-ium chloride Traditional Name: 4-chloro-2,2-diethyl-9-isopropenyl-1,3-dihydrobenz[f]isoindol-2-ium chloride Formula: C19H23Cl2N MolecularWeight: 336.29862

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CC2=C(C3=CC=CC=C3C(=C2C1)Cl)C(=C)C)CC.[Cl-]

Isomeric SMILES

CC[N+]1(CC2=C(C3=CC=CC=C3C(=C2C1)Cl)C(=C)C)CC.[Cl-]

InChI

InChI=1S/C19H23ClN.ClH/c1-5-21(6-2)11-16-17(12-21)19(20)15-10-8-7-9-14(15)18(16)13(3)4;/h7-10H,3,5-6,11-12H2,1-2,4H3;1H/q+1;/p-1