2-[[3-nitro-4-(1,2,4-triazol-1-yl)phenyl]carbonylamino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[[3-nitro-4-(1,2,4-triazol-1-yl)phenyl]carbonylamino]ethyl-di(propan-2-yl)azanium Openeye Name: diisopropyl-[2-[[3-nitro-4-(1,2,4-triazol-1-yl)benzoyl]amino]ethyl]ammonium CAS Name: 2-[[[3-nitro-4-(1,2,4-triazol-1-yl)phenyl]-oxomethyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[3-nitro-4-(1,2,4-triazol-1-yl)benzoyl]amino]ethyl-di(propan-2-yl)azanium Traditional Name: diisopropyl-[2-[[3-nitro-4-(1,2,4-triazol-1-yl)benzoyl]amino]ethyl]ammonium Formula: C17H25N6O3+ MolecularWeight: 361.4188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCNC(=O)C1=CC(=C(C=C1)N2C=NC=N2)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC(C)[NH+](CCNC(=O)C1=CC(=C(C=C1)N2C=NC=N2)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C17H24N6O3/c1-12(2)21(13(3)4)8-7-19-17(24)14-5-6-15(16(9-14)23(25)26)22-11-18-10-20-22/h5-6,9-13H,7-8H2,1-4H3,(H,19,24)/p+1