2-[(3R)-3-(4-chlorophenyl)-6-methyl-heptyl]-2,3-dihydro-1H-isoindol-2-ium

Systemtic Name: 2-[(3R)-3-(4-chlorophenyl)-6-methyl-heptyl]-2,3-dihydro-1H-isoindol-2-ium Openeye Name: 2-[(3R)-3-(4-chlorophenyl)-6-methyl-heptyl]isoindolin-2-ium CAS Name: 2-[(3R)-3-(4-chlorophenyl)-6-methylheptyl]-2,3-dihydro-1H-isoindol-2-ium IUPAC Name: 2-[(3R)-3-(4-chlorophenyl)-6-methylheptyl]-2,3-dihydro-1H-isoindol-2-ium Traditional Name: 2-[(3R)-3-(4-chlorophenyl)-6-methyl-heptyl]isoindolin-2-ium Formula: C22H29ClN+ MolecularWeight: 342.92536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClN/c1-17(2)7-8-19(18-9-11-22(23)12-10-18)13-14-24-15-20-5-3-4-6-21(20)16-24/h3-6,9-12,17,19H,7-8,13-16H2,1-2H3/p+1/t19-/m1/s1