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

Systemtic Name: [3-[(2S)-1-oxidanylidene-1-(pentylamino)propan-2-yl]oxyphenyl]methylazanium Openeye Name: [3-[(1S)-1-methyl-2-oxo-2-(pentylamino)ethoxy]phenyl]methylammonium CAS Name: [3-[(2S)-1-oxo-1-(pentylamino)propan-2-yl]oxyphenyl]methylammonium IUPAC Name: [3-[(2S)-1-oxo-1-(pentylamino)propan-2-yl]oxyphenyl]methylazanium Traditional Name: [3-[(1S)-2-(amylamino)-2-keto-1-methyl-ethoxy]benzyl]ammonium Formula: C15H25N2O2+ MolecularWeight: 265.3712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N2O2/c1-3-4-5-9-17-15(18)12(2)19-14-8-6-7-13(10-14)11-16/h6-8,10,12H,3-5,9,11,16H2,1-2H3,(H,17,18)/p+1/t12-/m0/s1