[2-[2-[(2S)-octan-2-yl]oxyethanoylamino]phenyl]methylazanium

Systemtic Name: [2-[2-[(2S)-octan-2-yl]oxyethanoylamino]phenyl]methylazanium Openeye Name: [2-[[2-[(1S)-1-methylheptoxy]acetyl]amino]phenyl]methylammonium CAS Name: [2-[[2-[(2S)-octan-2-yl]oxy-1-oxoethyl]amino]phenyl]methylammonium IUPAC Name: [2-[[2-[(2S)-octan-2-yl]oxyacetyl]amino]phenyl]methylazanium Traditional Name: [2-[[2-[(1S)-1-methylheptoxy]acetyl]amino]benzyl]ammonium Formula: C17H29N2O2+ MolecularWeight: 293.42436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCC[C@H](C)OCC(=O)NC1=CC=CC=C1C[NH3+]

InChI

InChI=1S/C17H28N2O2/c1-3-4-5-6-9-14(2)21-13-17(20)19-16-11-8-7-10-15(16)12-18/h7-8,10-11,14H,3-6,9,12-13,18H2,1-2H3,(H,19,20)/p+1/t14-/m0/s1