dimethyl-[[2-[[(5-nitro-2-pyrrolidin-1-yl-phenyl)carbonylamino]methyl]phenyl]methyl]azanium

Systemtic Name: dimethyl-[[2-[[(5-nitro-2-pyrrolidin-1-yl-phenyl)carbonylamino]methyl]phenyl]methyl]azanium Openeye Name: dimethyl-[[2-[[(5-nitro-2-pyrrolidin-1-yl-benzoyl)amino]methyl]phenyl]methyl]ammonium CAS Name: dimethyl-[[2-[[[[5-nitro-2-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: dimethyl-[[2-[[(5-nitro-2-pyrrolidin-1-ylbenzoyl)amino]methyl]phenyl]methyl]azanium Traditional Name: dimethyl-[2-[[(5-nitro-2-pyrrolidino-benzoyl)amino]methyl]benzyl]ammonium Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=CC=C1CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3

Isomeric SMILES

C[NH+](C)CC1=CC=CC=C1CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3

InChI

InChI=1S/C21H26N4O3/c1-23(2)15-17-8-4-3-7-16(17)14-22-21(26)19-13-18(25(27)28)9-10-20(19)24-11-5-6-12-24/h3-4,7-10,13H,5-6,11-12,14-15H2,1-2H3,(H,22,26)/p+1