carbamimidoyl-[5-ethoxy-4-ethoxycarbonyl-4-(oxan-2-yloxy)-5-oxidanylidene-pentyl]azanium; hydrogen sulfate

Systemtic Name: carbamimidoyl-[5-ethoxy-4-ethoxycarbonyl-4-(oxan-2-yloxy)-5-oxidanylidene-pentyl]azanium; hydrogen sulfate Openeye Name: carbamimidoyl-(5-ethoxy-4-ethoxycarbonyl-5-oxo-4-tetrahydropyran-2-yloxy-pentyl)ammonium; hydrogen sulfate CAS Name: carbamimidoyl-[5-ethoxy-4-ethoxycarbonyl-4-(2-oxanyloxy)-5-oxopentyl]ammonium; hydrogen sulfate IUPAC Name: carbamimidoyl-[5-ethoxy-4-ethoxycarbonyl-4-(oxan-2-yloxy)-5-oxopentyl]azanium; hydrogen sulfate Traditional Name: amidino-(4-carbethoxy-5-ethoxy-5-keto-4-tetrahydropyran-2-yloxy-pentyl)ammonium bisulfate Formula: C16H31N3O10S MolecularWeight: 457.49644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC[NH2+]C(=N)N)(C(=O)OCC)OC1CCCCO1.OS(=O)(=O)[O-]

Isomeric SMILES

CCOC(=O)C(CCC[NH2+]C(=N)N)(C(=O)OCC)OC1CCCCO1.OS(=O)(=O)[O-]

InChI

InChI=1S/C16H29N3O6.H2O4S/c1-3-22-13(20)16(14(21)23-4-2,9-7-10-19-15(17)18)25-12-8-5-6-11-24-12;1-5(2,3)4/h12H,3-11H2,1-2H3,(H4,17,18,19);(H2,1,2,3,4)