[4-[[(2R)-2-(4-methylpentoxy)propanoyl]amino]phenyl]methylazanium

Systemtic Name: [4-[[(2R)-2-(4-methylpentoxy)propanoyl]amino]phenyl]methylazanium Openeye Name: [4-[[(2R)-2-isohexyloxypropanoyl]amino]phenyl]methylammonium CAS Name: [4-[[(2R)-2-(4-methylpentoxy)-1-oxopropyl]amino]phenyl]methylammonium IUPAC Name: [4-[[(2R)-2-(4-methylpentoxy)propanoyl]amino]phenyl]methylazanium Traditional Name: [4-[[(2R)-2-isohexyloxypropanoyl]amino]benzyl]ammonium Formula: C16H27N2O2+ MolecularWeight: 279.39778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O2/c1-12(2)5-4-10-20-13(3)16(19)18-15-8-6-14(11-17)7-9-15/h6-9,12-13H,4-5,10-11,17H2,1-3H3,(H,18,19)/p+1/t13-/m1/s1