[4-[3-[(2S)-4-methylpentan-2-yl]oxypropanoylamino]phenyl]methylazanium

Systemtic Name: [4-[3-[(2S)-4-methylpentan-2-yl]oxypropanoylamino]phenyl]methylazanium Openeye Name: [4-[3-[(1S)-1,3-dimethylbutoxy]propanoylamino]phenyl]methylammonium CAS Name: [4-[[3-[(2S)-4-methylpentan-2-yl]oxy-1-oxopropyl]amino]phenyl]methylammonium IUPAC Name: [4-[3-[(2S)-4-methylpentan-2-yl]oxypropanoylamino]phenyl]methylazanium Traditional Name: [4-[3-[(1S)-1,3-dimethylbutoxy]propanoylamino]benzyl]ammonium Formula: C16H27N2O2+ MolecularWeight: 279.39778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](CC(C)C)OCCC(=O)NC1=CC=C(C=C1)C[NH3+]

InChI

InChI=1S/C16H26N2O2/c1-12(2)10-13(3)20-9-8-16(19)18-15-6-4-14(11-17)5-7-15/h4-7,12-13H,8-11,17H2,1-3H3,(H,18,19)/p+1/t13-/m0/s1