[1-(4-diazocyclohexa-1,5-dien-1-yl)-2-(trimethylazaniumyl)ethyl] hydrogen phosphate

Systemtic Name: [1-(4-diazocyclohexa-1,5-dien-1-yl)-2-(trimethylazaniumyl)ethyl] hydrogen phosphate Openeye Name: [1-(4-diazocyclohexa-1,5-dien-1-yl)-2-(trimethylammonio)ethyl] hydrogen phosphate CAS Name: [1-(4-diazo-1-cyclohexa-1,5-dienyl)-2-(trimethylammonio)ethyl] hydrogen phosphate IUPAC Name: [1-(4-diazocyclohexa-1,5-dien-1-yl)-2-(trimethylazaniumyl)ethyl] hydrogen phosphate Traditional Name: [1-(4-diazocyclohexa-1,5-dien-1-yl)-2-(trimethylammonio)ethyl] hydrogen phosphate Formula: C11H18N3O4P MolecularWeight: 287.252081

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(C1=CCC(=[N+]=[N-])C=C1)OP(=O)(O)[O-]

Isomeric SMILES

C[N+](C)(C)CC(C1=CCC(=[N+]=[N-])C=C1)OP(=O)(O)[O-]

InChI

InChI=1S/C11H18N3O4P/c1-14(2,3)8-11(18-19(15,16)17)9-4-6-10(13-12)7-5-9/h4-6,11H,7-8H2,1-3H3,(H-,15,16,17)