[4-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]oxyphenyl]methylazanium

Systemtic Name: [4-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]oxyphenyl]methylazanium Openeye Name: [4-[(1S)-1-methyl-2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethoxy]phenyl]methylammonium CAS Name: [4-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]oxyphenyl]methylammonium IUPAC Name: [4-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]oxyphenyl]methylazanium Traditional Name: [4-[(1S)-2-keto-1-methyl-2-[[(1S)-1-methylpropyl]amino]ethoxy]benzyl]ammonium Formula: C14H23N2O2+ MolecularWeight: 251.34462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2O2/c1-4-10(2)16-14(17)11(3)18-13-7-5-12(9-15)6-8-13/h5-8,10-11H,4,9,15H2,1-3H3,(H,16,17)/p+1/t10-,11-/m0/s1