[(2S)-3-[2-(3,4-dimethylphenoxy)ethoxy]-2-oxidanyl-propyl]-(2,4,4-trimethylpentan-2-yl)azanium

Systemtic Name: [(2S)-3-[2-(3,4-dimethylphenoxy)ethoxy]-2-oxidanyl-propyl]-(2,4,4-trimethylpentan-2-yl)azanium Openeye Name: [(2S)-3-[2-(3,4-dimethylphenoxy)ethoxy]-2-hydroxy-propyl]-(1,1,3,3-tetramethylbutyl)ammonium CAS Name: [(2S)-3-[2-(3,4-dimethylphenoxy)ethoxy]-2-hydroxypropyl]-(2,4,4-trimethylpentan-2-yl)ammonium IUPAC Name: [(2S)-3-[2-(3,4-dimethylphenoxy)ethoxy]-2-hydroxypropyl]-(2,4,4-trimethylpentan-2-yl)azanium Traditional Name: [(2S)-3-[2-(3,4-dimethylphenoxy)ethoxy]-2-hydroxy-propyl]-(1,1,3,3-tetramethylbutyl)ammonium Formula: C21H38NO3+ MolecularWeight: 352.53132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCCOCC(C[NH2+]C(C)(C)CC(C)(C)C)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCCOC[C@H](C[NH2+]C(C)(C)CC(C)(C)C)O)C

InChI

InChI=1S/C21H37NO3/c1-16-8-9-19(12-17(16)2)25-11-10-24-14-18(23)13-22-21(6,7)15-20(3,4)5/h8-9,12,18,22-23H,10-11,13-15H2,1-7H3/p+1/t18-/m0/s1