[3-[4-(3-methylbutoxy)butanoylamino]phenyl]methylazanium

Systemtic Name: [3-[4-(3-methylbutoxy)butanoylamino]phenyl]methylazanium Openeye Name: [3-(4-isopentyloxybutanoylamino)phenyl]methylammonium CAS Name: [3-[[4-(3-methylbutoxy)-1-oxobutyl]amino]phenyl]methylammonium IUPAC Name: [3-[4-(3-methylbutoxy)butanoylamino]phenyl]methylazanium Traditional Name: [3-(4-isoamoxybutanoylamino)benzyl]ammonium Formula: C16H27N2O2+ MolecularWeight: 279.39778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOCCCC(=O)NC1=CC=CC(=C1)C[NH3+]

Isomeric SMILES

CC(C)CCOCCCC(=O)NC1=CC=CC(=C1)C[NH3+]

InChI

InChI=1S/C16H26N2O2/c1-13(2)8-10-20-9-4-7-16(19)18-15-6-3-5-14(11-15)12-17/h3,5-6,11,13H,4,7-10,12,17H2,1-2H3,(H,18,19)/p+1