[3-[(2S)-1-(butylamino)-1-oxidanylidene-propan-2-yl]oxyphenyl]methylazanium

Systemtic Name: [3-[(2S)-1-(butylamino)-1-oxidanylidene-propan-2-yl]oxyphenyl]methylazanium Openeye Name: [3-[(1S)-2-(butylamino)-1-methyl-2-oxo-ethoxy]phenyl]methylammonium CAS Name: [3-[(2S)-1-(butylamino)-1-oxopropan-2-yl]oxyphenyl]methylammonium IUPAC Name: [3-[(2S)-1-(butylamino)-1-oxopropan-2-yl]oxyphenyl]methylazanium Traditional Name: [3-[(1S)-2-(butylamino)-2-keto-1-methyl-ethoxy]benzyl]ammonium Formula: C14H23N2O2+ MolecularWeight: 251.34462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C)OC1=CC=CC(=C1)C[NH3+]

Isomeric SMILES

CCCCNC(=O)[C@H](C)OC1=CC=CC(=C1)C[NH3+]

InChI

InChI=1S/C14H22N2O2/c1-3-4-8-16-14(17)11(2)18-13-7-5-6-12(9-13)10-15/h5-7,9,11H,3-4,8,10,15H2,1-2H3,(H,16,17)/p+1/t11-/m0/s1