3-[[3-[(4-tert-butylphenoxy)methyl]phenyl]carbonylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[3-[(4-tert-butylphenoxy)methyl]phenyl]carbonylamino]propyl-dimethyl-azanium Openeye Name: 3-[[3-[(4-tert-butylphenoxy)methyl]benzoyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[3-[(4-tert-butylphenoxy)methyl]phenyl]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[3-[(4-tert-butylphenoxy)methyl]benzoyl]amino]propyl-dimethylazanium Traditional Name: 3-[[3-[(4-tert-butylphenoxy)methyl]benzoyl]amino]propyl-dimethyl-ammonium Formula: C23H33N2O2+ MolecularWeight: 369.52032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC2=CC=CC(=C2)C(=O)NCCC[NH+](C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC2=CC=CC(=C2)C(=O)NCCC[NH+](C)C

InChI

InChI=1S/C23H32N2O2/c1-23(2,3)20-10-12-21(13-11-20)27-17-18-8-6-9-19(16-18)22(26)24-14-7-15-25(4)5/h6,8-13,16H,7,14-15,17H2,1-5H3,(H,24,26)/p+1