(1S)-1-(diazonioamino)-3-oxidanylidene-2-[(2S)-4-phenylbutan-2-yl]-1H-isoindole

Systemtic Name: (1S)-1-(diazonioamino)-3-oxidanylidene-2-[(2S)-4-phenylbutan-2-yl]-1H-isoindole Openeye Name: (1S)-1-(diazonioamino)-2-[(1S)-1-methyl-3-phenyl-propyl]-3-oxo-isoindoline CAS Name: (1S)-1-(diazonioamino)-3-oxo-2-[(2S)-4-phenylbutan-2-yl]-1H-isoindole IUPAC Name: (1S)-1-(diazonioamino)-3-oxo-2-[(2S)-4-phenylbutan-2-yl]-1H-isoindole Traditional Name: (1S)-1-(diazonioamino)-3-keto-2-[(1S)-1-methyl-3-phenyl-propyl]isoindoline Formula: C18H19N4O+ MolecularWeight: 307.36966

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)N2C(C3=CC=CC=C3C2=O)N[N+]#N

Isomeric SMILES

C[C@@H](CCC1=CC=CC=C1)N2[C@H](C3=CC=CC=C3C2=O)N[N+]#N

InChI

InChI=1S/C18H19N4O/c1-13(11-12-14-7-3-2-4-8-14)22-17(20-21-19)15-9-5-6-10-16(15)18(22)23/h2-10,13,17,20H,11-12H2,1H3/q+1/t13-,17+/m0/s1