2-[4-[(2S)-1-oxidanylidene-1-(pentan-3-ylamino)propan-2-yl]oxyphenyl]ethylazanium

Systemtic Name: 2-[4-[(2S)-1-oxidanylidene-1-(pentan-3-ylamino)propan-2-yl]oxyphenyl]ethylazanium Openeye Name: 2-[4-[(1S)-2-(1-ethylpropylamino)-1-methyl-2-oxo-ethoxy]phenyl]ethylammonium CAS Name: 2-[4-[(2S)-1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxyphenyl]ethylammonium IUPAC Name: 2-[4-[(2S)-1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxyphenyl]ethylazanium Traditional Name: 2-[4-[(1S)-2-(1-ethylpropylamino)-2-keto-1-methyl-ethoxy]phenyl]ethylammonium Formula: C16H27N2O2+ MolecularWeight: 279.39778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O2/c1-4-14(5-2)18-16(19)12(3)20-15-8-6-13(7-9-15)10-11-17/h6-9,12,14H,4-5,10-11,17H2,1-3H3,(H,18,19)/p+1/t12-/m0/s1