[4-[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethoxy]-3,5-dimethyl-phenyl]methylazanium

Systemtic Name: [4-[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethoxy]-3,5-dimethyl-phenyl]methylazanium Openeye Name: [3,5-dimethyl-4-[2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethoxy]phenyl]methylammonium CAS Name: [4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]-3,5-dimethylphenyl]methylammonium IUPAC Name: [4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]-3,5-dimethylphenyl]methylazanium Traditional Name: [4-[2-keto-2-[[(1S)-1-methylpropyl]amino]ethoxy]-3,5-dimethyl-benzyl]ammonium Formula: C15H25N2O2+ MolecularWeight: 265.3712

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC1=C(C=C(C=C1C)C[NH3+])C

Isomeric SMILES

CC[C@H](C)NC(=O)COC1=C(C=C(C=C1C)C[NH3+])C

InChI

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