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

Systemtic Name: methyl-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-[(4-propan-2-ylphenyl)methyl]azanium Openeye Name: (4-isopropylphenyl)methyl-methyl-[(5-nitro-1,3-dioxo-isoindolin-2-yl)methyl]ammonium CAS Name: methyl-[(5-nitro-1,3-dioxo-2-isoindolyl)methyl]-[(4-propan-2-ylphenyl)methyl]ammonium IUPAC Name: methyl-[(5-nitro-1,3-dioxoisoindol-2-yl)methyl]-[(4-propan-2-ylphenyl)methyl]azanium Traditional Name: (1,3-diketo-5-nitro-isoindolin-2-yl)methyl-(4-isopropylbenzyl)-methyl-ammonium Formula: C20H22N3O4+ MolecularWeight: 368.40638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4/c1-13(2)15-6-4-14(5-7-15)11-21(3)12-22-19(24)17-9-8-16(23(26)27)10-18(17)20(22)25/h4-10,13H,11-12H2,1-3H3/p+1