diethyl-[[2-[[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylamino]methyl]phenyl]methyl]azanium

Systemtic Name: diethyl-[[2-[[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylamino]methyl]phenyl]methyl]azanium Openeye Name: diethyl-[[2-[[(3-nitro-4-pyrrolidin-1-yl-benzoyl)amino]methyl]phenyl]methyl]ammonium CAS Name: diethyl-[[2-[[[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: diethyl-[[2-[[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]methyl]phenyl]methyl]azanium Traditional Name: diethyl-[2-[[(3-nitro-4-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=CC=C1CNC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O3/c1-3-25(4-2)17-20-10-6-5-9-19(20)16-24-23(28)18-11-12-21(22(15-18)27(29)30)26-13-7-8-14-26/h5-6,9-12,15H,3-4,7-8,13-14,16-17H2,1-2H3,(H,24,28)/p+1