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

Systemtic Name: [3-[3-(4-methylpentoxy)propanoylamino]phenyl]methylazanium Openeye Name: [3-(3-isohexyloxypropanoylamino)phenyl]methylammonium CAS Name: [3-[[3-(4-methylpentoxy)-1-oxopropyl]amino]phenyl]methylammonium IUPAC Name: [3-[3-(4-methylpentoxy)propanoylamino]phenyl]methylazanium Traditional Name: [3-(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(=C1)C[NH3+]

Isomeric SMILES

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

InChI

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