dimethyl-[2-[[4-(methylamino)-3-nitro-phenyl]carbonyl-phenethyl-amino]ethyl]azanium

Systemtic Name: dimethyl-[2-[[4-(methylamino)-3-nitro-phenyl]carbonyl-phenethyl-amino]ethyl]azanium Openeye Name: dimethyl-[2-[[4-(methylamino)-3-nitro-benzoyl]-phenethyl-amino]ethyl]ammonium CAS Name: dimethyl-[2-[[[4-(methylamino)-3-nitrophenyl]-oxomethyl]-phenethylamino]ethyl]ammonium IUPAC Name: dimethyl-[2-[[4-(methylamino)-3-nitrobenzoyl]-phenethylamino]ethyl]azanium Traditional Name: dimethyl-[2-[[4-(methylamino)-3-nitro-benzoyl]-phenethyl-amino]ethyl]ammonium Formula: C20H27N4O3+ MolecularWeight: 371.45338

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)N(CCC2=CC=CC=C2)CC[NH+](C)C)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)N(CCC2=CC=CC=C2)CC[NH+](C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O3/c1-21-18-10-9-17(15-19(18)24(26)27)20(25)23(14-13-22(2)3)12-11-16-7-5-4-6-8-16/h4-10,15,21H,11-14H2,1-3H3/p+1