[4-[2-(3-methylbutylamino)-2-oxidanylidene-ethoxy]phenyl]methylazanium

Systemtic Name: [4-[2-(3-methylbutylamino)-2-oxidanylidene-ethoxy]phenyl]methylazanium Openeye Name: [4-[2-(isopentylamino)-2-oxo-ethoxy]phenyl]methylammonium CAS Name: [4-[2-(3-methylbutylamino)-2-oxoethoxy]phenyl]methylammonium IUPAC Name: [4-[2-(3-methylbutylamino)-2-oxoethoxy]phenyl]methylazanium Traditional Name: [4-[2-(isoamylamino)-2-keto-ethoxy]benzyl]ammonium Formula: C14H23N2O2+ MolecularWeight: 251.34462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC1=CC=C(C=C1)C[NH3+]

Isomeric SMILES

CC(C)CCNC(=O)COC1=CC=C(C=C1)C[NH3+]

InChI

InChI=1S/C14H22N2O2/c1-11(2)7-8-16-14(17)10-18-13-5-3-12(9-15)4-6-13/h3-6,11H,7-10,15H2,1-2H3,(H,16,17)/p+1