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

Systemtic Name: butyl-[(1R)-2-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-3-oxidanylidene-1H-isoindol-1-yl]azanium Openeye Name: butyl-[(1R)-2-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-3-oxo-isoindolin-1-yl]ammonium CAS Name: butyl-[(1R)-2-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-3-oxo-1H-isoindol-1-yl]ammonium IUPAC Name: butyl-[(1R)-2-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-3-oxo-1H-isoindol-1-yl]azanium Traditional Name: butyl-[(1R)-2-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-3-keto-isoindolin-1-yl]ammonium Formula: C20H31N2O+ MolecularWeight: 315.47294

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH2+]C1C2=CC=CC=C2C(=O)N1C3CCCC(C3C)C

Isomeric SMILES

CCCC[NH2+][C@H]1C2=CC=CC=C2C(=O)N1[C@H]3CCC[C@@H]([C@@H]3C)C

InChI

InChI=1S/C20H30N2O/c1-4-5-13-21-19-16-10-6-7-11-17(16)20(23)22(19)18-12-8-9-14(2)15(18)3/h6-7,10-11,14-15,18-19,21H,4-5,8-9,12-13H2,1-3H3/p+1/t14-,15-,18-,19+/m0/s1