[4-methoxy-3-(3-phenylpropoxy)phenyl]methylazanium

Systemtic Name: [4-methoxy-3-(3-phenylpropoxy)phenyl]methylazanium Openeye Name: [4-methoxy-3-(3-phenylpropoxy)phenyl]methylammonium CAS Name: [4-methoxy-3-(3-phenylpropoxy)phenyl]methylammonium IUPAC Name: [4-methoxy-3-(3-phenylpropoxy)phenyl]methylazanium Traditional Name: [4-methoxy-3-(3-phenylpropoxy)benzyl]ammonium Formula: C17H22NO2+ MolecularWeight: 272.36208

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH3+])OCCCC2=CC=CC=C2

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH3+])OCCCC2=CC=CC=C2

InChI

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