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

Systemtic Name: methyl-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-[(2-piperidin-1-ylphenyl)methyl]azanium Openeye Name: methyl-[(5-nitro-1,3-dioxo-isoindolin-2-yl)methyl]-[[2-(1-piperidyl)phenyl]methyl]ammonium CAS Name: methyl-[(5-nitro-1,3-dioxo-2-isoindolyl)methyl]-[[2-(1-piperidinyl)phenyl]methyl]ammonium IUPAC Name: methyl-[(5-nitro-1,3-dioxoisoindol-2-yl)methyl]-[(2-piperidin-1-ylphenyl)methyl]azanium Traditional Name: (1,3-diketo-5-nitro-isoindolin-2-yl)methyl-methyl-(2-piperidinobenzyl)ammonium Formula: C22H25N4O4+ MolecularWeight: 409.4583

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1N2CCCCC2)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C[NH+](CC1=CC=CC=C1N2CCCCC2)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O4/c1-23(14-16-7-3-4-8-20(16)24-11-5-2-6-12-24)15-25-21(27)18-10-9-17(26(29)30)13-19(18)22(25)28/h3-4,7-10,13H,2,5-6,11-12,14-15H2,1H3/p+1