[(1S)-1-[3-[(2S)-1-oxidanylidene-1-(pentan-3-ylamino)propan-2-yl]oxyphenyl]ethyl]azanium

Systemtic Name: [(1S)-1-[3-[(2S)-1-oxidanylidene-1-(pentan-3-ylamino)propan-2-yl]oxyphenyl]ethyl]azanium Openeye Name: [(1S)-1-[3-[(1S)-2-(1-ethylpropylamino)-1-methyl-2-oxo-ethoxy]phenyl]ethyl]ammonium CAS Name: [(1S)-1-[3-[(2S)-1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxyphenyl]ethyl]ammonium IUPAC Name: [(1S)-1-[3-[(2S)-1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxyphenyl]ethyl]azanium Traditional Name: [(1S)-1-[3-[(1S)-2-(1-ethylpropylamino)-2-keto-1-methyl-ethoxy]phenyl]ethyl]ammonium Formula: C16H27N2O2+ MolecularWeight: 279.39778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O2/c1-5-14(6-2)18-16(19)12(4)20-15-9-7-8-13(10-15)11(3)17/h7-12,14H,5-6,17H2,1-4H3,(H,18,19)/p+1/t11-,12-/m0/s1