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

Systemtic Name: methyl-[[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-[(4-piperidin-1-ylphenyl)methyl]azanium Openeye Name: methyl-[(4-nitro-1,3-dioxo-isoindolin-2-yl)methyl]-[[4-(1-piperidyl)phenyl]methyl]ammonium CAS Name: methyl-[(4-nitro-1,3-dioxo-2-isoindolyl)methyl]-[[4-(1-piperidinyl)phenyl]methyl]ammonium IUPAC Name: methyl-[(4-nitro-1,3-dioxoisoindol-2-yl)methyl]-[(4-piperidin-1-ylphenyl)methyl]azanium Traditional Name: (1,3-diketo-4-nitro-isoindolin-2-yl)methyl-methyl-(4-piperidinobenzyl)ammonium Formula: C22H25N4O4+ MolecularWeight: 409.4583

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)N2CCCCC2)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)N2CCCCC2)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O4/c1-23(14-16-8-10-17(11-9-16)24-12-3-2-4-13-24)15-25-21(27)18-6-5-7-19(26(29)30)20(18)22(25)28/h5-11H,2-4,12-15H2,1H3/p+1