butyl-[(1R)-3-oxidanylidene-2-[(2R)-4-phenylbutan-2-yl]-1H-isoindol-1-yl]azanium

Systemtic Name: butyl-[(1R)-3-oxidanylidene-2-[(2R)-4-phenylbutan-2-yl]-1H-isoindol-1-yl]azanium Openeye Name: butyl-[(1R)-2-[(1R)-1-methyl-3-phenyl-propyl]-3-oxo-isoindolin-1-yl]ammonium CAS Name: butyl-[(1R)-3-oxo-2-[(2R)-4-phenylbutan-2-yl]-1H-isoindol-1-yl]ammonium IUPAC Name: butyl-[(1R)-3-oxo-2-[(2R)-4-phenylbutan-2-yl]-1H-isoindol-1-yl]azanium Traditional Name: butyl-[(1R)-3-keto-2-[(1R)-1-methyl-3-phenyl-propyl]isoindolin-1-yl]ammonium Formula: C22H29N2O+ MolecularWeight: 337.47846

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH2+]C1C2=CC=CC=C2C(=O)N1C(C)CCC3=CC=CC=C3

Isomeric SMILES

CCCC[NH2+][C@H]1C2=CC=CC=C2C(=O)N1[C@H](C)CCC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O/c1-3-4-16-23-21-19-12-8-9-13-20(19)22(25)24(21)17(2)14-15-18-10-6-5-7-11-18/h5-13,17,21,23H,3-4,14-16H2,1-2H3/p+1/t17-,21-/m1/s1