[N'-[6-(4-ethoxycarbonylphenoxy)-6-oxidanylidene-hexyl]carbamimidoyl]azanium; methanesulfonate

Systemtic Name: [N'-[6-(4-ethoxycarbonylphenoxy)-6-oxidanylidene-hexyl]carbamimidoyl]azanium; methanesulfonate Openeye Name: [N'-[6-(4-ethoxycarbonylphenoxy)-6-oxo-hexyl]carbamimidoyl]ammonium; methanesulfonate CAS Name: [amino-[6-(4-ethoxycarbonylphenoxy)-6-oxohexyl]iminomethyl]ammonium; methanesulfonate IUPAC Name: [N'-[6-(4-ethoxycarbonylphenoxy)-6-oxohexyl]carbamimidoyl]azanium; methanesulfonate Traditional Name: [N'-[6-(4-carbethoxyphenoxy)-6-keto-hexyl]amidino]ammonium mesylate Formula: C17H27N3O7S MolecularWeight: 417.47718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC(=O)CCCCCN=C([NH3+])N.CS(=O)(=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC(=O)CCCCCN=C([NH3+])N.CS(=O)(=O)[O-]

InChI

InChI=1S/C16H23N3O4.CH4O3S/c1-2-22-15(21)12-7-9-13(10-8-12)23-14(20)6-4-3-5-11-19-16(17)18;1-5(2,3)4/h7-10H,2-6,11H2,1H3,(H4,17,18,19);1H3,(H,2,3,4)