diethyl-[[4-[[(5-nitro-2-pyrrolidin-1-yl-phenyl)carbonylamino]methyl]phenyl]methyl]azanium

Systemtic Name: diethyl-[[4-[[(5-nitro-2-pyrrolidin-1-yl-phenyl)carbonylamino]methyl]phenyl]methyl]azanium Openeye Name: diethyl-[[4-[[(5-nitro-2-pyrrolidin-1-yl-benzoyl)amino]methyl]phenyl]methyl]ammonium CAS Name: diethyl-[[4-[[[[5-nitro-2-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: diethyl-[[4-[[(5-nitro-2-pyrrolidin-1-ylbenzoyl)amino]methyl]phenyl]methyl]azanium Traditional Name: diethyl-[4-[[(5-nitro-2-pyrrolidino-benzoyl)amino]methyl]benzyl]ammonium Formula: C23H31N4O3+ MolecularWeight: 411.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3

InChI

InChI=1S/C23H30N4O3/c1-3-25(4-2)17-19-9-7-18(8-10-19)16-24-23(28)21-15-20(27(29)30)11-12-22(21)26-13-5-6-14-26/h7-12,15H,3-6,13-14,16-17H2,1-2H3,(H,24,28)/p+1