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

Systemtic Name: methanesulfonate; [3-methoxy-4-(4-phenylbutoxy)phenyl]azanium Openeye Name: methanesulfonate; [3-methoxy-4-(4-phenylbutoxy)phenyl]ammonium CAS Name: methanesulfonate; [3-methoxy-4-(4-phenylbutoxy)phenyl]ammonium IUPAC Name: methanesulfonate; [3-methoxy-4-(4-phenylbutoxy)phenyl]azanium Traditional Name: [3-methoxy-4-(4-phenylbutoxy)phenyl]ammonium mesylate Formula: C18H25NO5S MolecularWeight: 367.4598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[NH3+])OCCCCC2=CC=CC=C2.CS(=O)(=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)[NH3+])OCCCCC2=CC=CC=C2.CS(=O)(=O)[O-]

InChI

InChI=1S/C17H21NO2.CH4O3S/c1-19-17-13-15(18)10-11-16(17)20-12-6-5-9-14-7-3-2-4-8-14;1-5(2,3)4/h2-4,7-8,10-11,13H,5-6,9,12,18H2,1H3;1H3,(H,2,3,4)