methanesulfonate; [3-methoxy-4-(5-phenylmethoxypentoxy)phenyl]azanium

Systemtic Name: methanesulfonate; [3-methoxy-4-(5-phenylmethoxypentoxy)phenyl]azanium Openeye Name: [4-(5-benzyloxypentoxy)-3-methoxy-phenyl]ammonium; methanesulfonate CAS Name: methanesulfonate; [3-methoxy-4-(5-phenylmethoxypentoxy)phenyl]ammonium IUPAC Name: methanesulfonate; [3-methoxy-4-(5-phenylmethoxypentoxy)phenyl]azanium Traditional Name: [4-(5-benzoxypentoxy)-3-methoxy-phenyl]ammonium mesylate Formula: C20H29NO6S MolecularWeight: 411.51236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[NH3+])OCCCCCOCC2=CC=CC=C2.CS(=O)(=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)[NH3+])OCCCCCOCC2=CC=CC=C2.CS(=O)(=O)[O-]

InChI

InChI=1S/C19H25NO3.CH4O3S/c1-21-19-14-17(20)10-11-18(19)23-13-7-3-6-12-22-15-16-8-4-2-5-9-16;1-5(2,3)4/h2,4-5,8-11,14H,3,6-7,12-13,15,20H2,1H3;1H3,(H,2,3,4)