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

Systemtic Name: 2-[(3R)-3-[(4S)-2,2-dimethyloxan-4-yl]-6-methyl-heptyl]-2,3-dihydro-1H-isoindol-2-ium Openeye Name: 2-[(3R)-3-[(4S)-2,2-dimethyltetrahydropyran-4-yl]-6-methyl-heptyl]isoindolin-2-ium CAS Name: 2-[(3R)-3-[(4S)-2,2-dimethyl-4-oxanyl]-6-methylheptyl]-2,3-dihydro-1H-isoindol-2-ium IUPAC Name: 2-[(3R)-3-[(4S)-2,2-dimethyloxan-4-yl]-6-methylheptyl]-2,3-dihydro-1H-isoindol-2-ium Traditional Name: 2-[(3R)-3-[(4S)-2,2-dimethyltetrahydropyran-4-yl]-6-methyl-heptyl]isoindolin-2-ium Formula: C23H38NO+ MolecularWeight: 344.55392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(CC[NH+]1CC2=CC=CC=C2C1)C3CCOC(C3)(C)C

Isomeric SMILES

CC(C)CC[C@H](CC[NH+]1CC2=CC=CC=C2C1)[C@H]3CCOC(C3)(C)C

InChI

InChI=1S/C23H37NO/c1-18(2)9-10-19(20-12-14-25-23(3,4)15-20)11-13-24-16-21-7-5-6-8-22(21)17-24/h5-8,18-20H,9-17H2,1-4H3/p+1/t19-,20+/m1/s1