[(1S)-2-butyl-3-oxidanylidene-4,5,6,7-tetrahydro-1H-isoindol-1-yl]-[(2R)-4-phenylbutan-2-yl]azanium

Systemtic Name: [(1S)-2-butyl-3-oxidanylidene-4,5,6,7-tetrahydro-1H-isoindol-1-yl]-[(2R)-4-phenylbutan-2-yl]azanium Openeye Name: [(1S)-2-butyl-3-oxo-4,5,6,7-tetrahydro-1H-isoindol-1-yl]-[(1R)-1-methyl-3-phenyl-propyl]ammonium CAS Name: [(1S)-2-butyl-3-oxo-4,5,6,7-tetrahydro-1H-isoindol-1-yl]-[(2R)-4-phenylbutan-2-yl]ammonium IUPAC Name: [(1S)-2-butyl-3-oxo-4,5,6,7-tetrahydro-1H-isoindol-1-yl]-[(2R)-4-phenylbutan-2-yl]azanium Traditional Name: [(1S)-2-butyl-3-keto-4,5,6,7-tetrahydro-1H-isoindol-1-yl]-[(1R)-1-methyl-3-phenyl-propyl]ammonium Formula: C22H33N2O+ MolecularWeight: 341.51022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C2=C(C1=O)CCCC2)[NH2+]C(C)CCC3=CC=CC=C3

Isomeric SMILES

CCCCN1[C@@H](C2=C(C1=O)CCCC2)[NH2+][C@H](C)CCC3=CC=CC=C3

InChI

InChI=1S/C22H32N2O/c1-3-4-16-24-21(19-12-8-9-13-20(19)22(24)25)23-17(2)14-15-18-10-6-5-7-11-18/h5-7,10-11,17,21,23H,3-4,8-9,12-16H2,1-2H3/p+1/t17-,21+/m1/s1