cyclopropyl-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-[(4-propan-2-ylphenyl)methyl]azanium

Systemtic Name: cyclopropyl-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-[(4-propan-2-ylphenyl)methyl]azanium Openeye Name: cyclopropyl-[(4-isopropylphenyl)methyl]-[(5-nitro-1,3-dioxo-isoindolin-2-yl)methyl]ammonium CAS Name: cyclopropyl-[(5-nitro-1,3-dioxo-2-isoindolyl)methyl]-[(4-propan-2-ylphenyl)methyl]ammonium IUPAC Name: cyclopropyl-[(5-nitro-1,3-dioxoisoindol-2-yl)methyl]-[(4-propan-2-ylphenyl)methyl]azanium Traditional Name: cyclopropyl-[(1,3-diketo-5-nitro-isoindolin-2-yl)methyl]-(4-isopropylbenzyl)ammonium Formula: C22H24N3O4+ MolecularWeight: 394.44366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+](CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C4CC4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+](CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C4CC4

InChI

InChI=1S/C22H23N3O4/c1-14(2)16-5-3-15(4-6-16)12-23(17-7-8-17)13-24-21(26)19-10-9-18(25(28)29)11-20(19)22(24)27/h3-6,9-11,14,17H,7-8,12-13H2,1-2H3/p+1