3-[4-(2,5-dimethylphenyl)phenoxy]propylazanium

Systemtic Name: 3-[4-(2,5-dimethylphenyl)phenoxy]propylazanium Openeye Name: 3-[4-(2,5-dimethylphenyl)phenoxy]propylammonium CAS Name: 3-[4-(2,5-dimethylphenyl)phenoxy]propylammonium IUPAC Name: 3-[4-(2,5-dimethylphenyl)phenoxy]propylazanium Traditional Name: 3-[4-(2,5-dimethylphenyl)phenoxy]propylammonium Formula: C17H22NO+ MolecularWeight: 256.36268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=CC=C(C=C2)OCCC[NH3+]

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=CC=C(C=C2)OCCC[NH3+]

InChI

InChI=1S/C17H21NO/c1-13-4-5-14(2)17(12-13)15-6-8-16(9-7-15)19-11-3-10-18/h4-9,12H,3,10-11,18H2,1-2H3/p+1