(C-azaniumylcarbonimidoyl)-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]azanium sulfate

Systemtic Name: (C-azaniumylcarbonimidoyl)-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]azanium sulfate Openeye Name: (azaniumylcarbonimidoyl)-[(4,5-diphenyloxazol-2-yl)methyl]ammonium sulfate CAS Name: [ammonio(imino)methyl]-[(4,5-diphenyl-2-oxazolyl)methyl]ammonium sulfate IUPAC Name: (C-azaniumylcarbonimidoyl)-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]azanium sulfate Traditional Name: (ammoniocarbonimidoyl)-[(4,5-diphenyloxazol-2-yl)methyl]ammonium sulfate Formula: C17H18N4O5S MolecularWeight: 390.41362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(OC(=N2)C[NH2+]C(=N)[NH3+])C3=CC=CC=C3.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(OC(=N2)C[NH2+]C(=N)[NH3+])C3=CC=CC=C3.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C17H16N4O.H2O4S/c18-17(19)20-11-14-21-15(12-7-3-1-4-8-12)16(22-14)13-9-5-2-6-10-13;1-5(2,3)4/h1-10H,11H2,(H4,18,19,20);(H2,1,2,3,4)