2-[(3S)-3-(4-chlorophenyl)-4-methyl-pentyl]-2,3-dihydro-1H-isoindol-2-ium

Systemtic Name: 2-[(3S)-3-(4-chlorophenyl)-4-methyl-pentyl]-2,3-dihydro-1H-isoindol-2-ium Openeye Name: 2-[(3S)-3-(4-chlorophenyl)-4-methyl-pentyl]isoindolin-2-ium CAS Name: 2-[(3S)-3-(4-chlorophenyl)-4-methylpentyl]-2,3-dihydro-1H-isoindol-2-ium IUPAC Name: 2-[(3S)-3-(4-chlorophenyl)-4-methylpentyl]-2,3-dihydro-1H-isoindol-2-ium Traditional Name: 2-[(3S)-3-(4-chlorophenyl)-4-methyl-pentyl]isoindolin-2-ium Formula: C20H25ClN+ MolecularWeight: 314.8722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC[NH+]1CC2=CC=CC=C2C1)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)[C@H](CC[NH+]1CC2=CC=CC=C2C1)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H24ClN/c1-15(2)20(16-7-9-19(21)10-8-16)11-12-22-13-17-5-3-4-6-18(17)14-22/h3-10,15,20H,11-14H2,1-2H3/p+1/t20-/m0/s1