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

Systemtic Name: methyl-[(2-methylphenyl)methyl]-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]azanium Openeye Name: methyl-[(5-nitro-1,3-dioxo-isoindolin-2-yl)methyl]-(o-tolylmethyl)ammonium CAS Name: methyl-[(2-methylphenyl)methyl]-[(5-nitro-1,3-dioxo-2-isoindolyl)methyl]ammonium IUPAC Name: methyl-[(2-methylphenyl)methyl]-[(5-nitro-1,3-dioxoisoindol-2-yl)methyl]azanium Traditional Name: (1,3-diketo-5-nitro-isoindolin-2-yl)methyl-methyl-(2-methylbenzyl)ammonium Formula: C18H18N3O4+ MolecularWeight: 340.35322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+](C)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C[NH+](C)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O4/c1-12-5-3-4-6-13(12)10-19(2)11-20-17(22)15-8-7-14(21(24)25)9-16(15)18(20)23/h3-9H,10-11H2,1-2H3/p+1