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

Systemtic Name: methyl-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-[(2-pyrrolidin-1-ylphenyl)methyl]azanium Openeye Name: methyl-[(5-nitro-1,3-dioxo-isoindolin-2-yl)methyl]-[(2-pyrrolidin-1-ylphenyl)methyl]ammonium CAS Name: methyl-[(5-nitro-1,3-dioxo-2-isoindolyl)methyl]-[[2-(1-pyrrolidinyl)phenyl]methyl]ammonium IUPAC Name: methyl-[(5-nitro-1,3-dioxoisoindol-2-yl)methyl]-[(2-pyrrolidin-1-ylphenyl)methyl]azanium Traditional Name: (1,3-diketo-5-nitro-isoindolin-2-yl)methyl-methyl-(2-pyrrolidinobenzyl)ammonium Formula: C21H23N4O4+ MolecularWeight: 395.43172

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1N2CCCC2)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C[NH+](CC1=CC=CC=C1N2CCCC2)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4/c1-22(13-15-6-2-3-7-19(15)23-10-4-5-11-23)14-24-20(26)17-9-8-16(25(28)29)12-18(17)21(24)27/h2-3,6-9,12H,4-5,10-11,13-14H2,1H3/p+1