cyclododecyl-[(1R)-2-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-3-oxidanylidene-1H-isoindol-1-yl]azanium

Systemtic Name: cyclododecyl-[(1R)-2-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-3-oxidanylidene-1H-isoindol-1-yl]azanium Openeye Name: cyclododecyl-[(1R)-2-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-3-oxo-isoindolin-1-yl]ammonium CAS Name: cyclododecyl-[(1R)-2-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-3-oxo-1H-isoindol-1-yl]ammonium IUPAC Name: cyclododecyl-[(1R)-2-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-3-oxo-1H-isoindol-1-yl]azanium Traditional Name: cyclododecyl-[(1R)-2-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-3-keto-isoindolin-1-yl]ammonium Formula: C28H45N2O+ MolecularWeight: 425.6697

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)N2C(C3=CC=CC=C3C2=O)[NH2+]C4CCCCCCCCCCC4

Isomeric SMILES

C[C@H]1CCC[C@@H]([C@@H]1C)N2[C@H](C3=CC=CC=C3C2=O)[NH2+]C4CCCCCCCCCCC4

InChI

InChI=1S/C28H44N2O/c1-21-15-14-20-26(22(21)2)30-27(24-18-12-13-19-25(24)28(30)31)29-23-16-10-8-6-4-3-5-7-9-11-17-23/h12-13,18-19,21-23,26-27,29H,3-11,14-17,20H2,1-2H3/p+1/t21-,22+,26-,27+/m0/s1