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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O2/c1-12(2)9-11-18-16(19)13(3)20-15-6-4-14(5-7-15)8-10-17/h4-7,12-13H,8-11,17H2,1-3H3,(H,18,19)/p+1/t13-/m0/s1