[2-[3-(4-methylpentoxy)propanoylamino]phenyl]methylazanium

Systemtic Name: [2-[3-(4-methylpentoxy)propanoylamino]phenyl]methylazanium Openeye Name: [2-(3-isohexyloxypropanoylamino)phenyl]methylammonium CAS Name: [2-[[3-(4-methylpentoxy)-1-oxopropyl]amino]phenyl]methylammonium IUPAC Name: [2-[3-(4-methylpentoxy)propanoylamino]phenyl]methylazanium Traditional Name: [2-(3-isohexyloxypropanoylamino)benzyl]ammonium Formula: C16H27N2O2+ MolecularWeight: 279.39778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCOCCC(=O)NC1=CC=CC=C1C[NH3+]

Isomeric SMILES

CC(C)CCCOCCC(=O)NC1=CC=CC=C1C[NH3+]

InChI

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