trimethyl-[2-[5-methyl-6-(4-nitrophenyl)-2-oxidanylidene-3,4-dihydro-1,5-benzodiazocin-5-ium-1-yl]ethyl]azanium

Systemtic Name: trimethyl-[2-[5-methyl-6-(4-nitrophenyl)-2-oxidanylidene-3,4-dihydro-1,5-benzodiazocin-5-ium-1-yl]ethyl]azanium Openeye Name: trimethyl-[2-[5-methyl-6-(4-nitrophenyl)-2-oxo-3,4-dihydro-1,5-benzodiazocin-5-ium-1-yl]ethyl]ammonium CAS Name: trimethyl-[2-[5-methyl-6-(4-nitrophenyl)-2-oxo-3,4-dihydro-1,5-benzodiazocin-5-ium-1-yl]ethyl]ammonium IUPAC Name: trimethyl-[2-[5-methyl-6-(4-nitrophenyl)-2-oxo-3,4-dihydro-1,5-benzodiazocin-5-ium-1-yl]ethyl]azanium Traditional Name: 2-[2-keto-5-methyl-6-(4-nitrophenyl)-3,4-dihydro-1,5-benzodiazocin-5-ium-1-yl]ethyl-trimethyl-ammonium Formula: C22H28N4O3+2 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=CC=CC=C2N(C(=O)CC1)CC[N+](C)(C)C)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[N+]1=C(C2=CC=CC=C2N(C(=O)CC1)CC[N+](C)(C)C)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O3/c1-23-14-13-21(27)24(15-16-26(2,3)4)20-8-6-5-7-19(20)22(23)17-9-11-18(12-10-17)25(28)29/h5-12H,13-16H2,1-4H3/q+2