[3-[2-[(2S)-2-ethylhexoxy]ethanoylamino]phenyl]methylazanium

Systemtic Name: [3-[2-[(2S)-2-ethylhexoxy]ethanoylamino]phenyl]methylazanium Openeye Name: [3-[[2-[(2S)-2-ethylhexoxy]acetyl]amino]phenyl]methylammonium CAS Name: [3-[[2-[(2S)-2-ethylhexoxy]-1-oxoethyl]amino]phenyl]methylammonium IUPAC Name: [3-[[2-[(2S)-2-ethylhexoxy]acetyl]amino]phenyl]methylazanium Traditional Name: [3-[[2-[(2S)-2-ethylhexoxy]acetyl]amino]benzyl]ammonium Formula: C17H29N2O2+ MolecularWeight: 293.42436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O2/c1-3-5-7-14(4-2)12-21-13-17(20)19-16-9-6-8-15(10-16)11-18/h6,8-10,14H,3-5,7,11-13,18H2,1-2H3,(H,19,20)/p+1/t14-/m0/s1