[(2S,3S)-3-methylpentan-2-yl]-[3-(2-methylpropoxy)propyl]azanium

Systemtic Name: [(2S,3S)-3-methylpentan-2-yl]-[3-(2-methylpropoxy)propyl]azanium Openeye Name: [(1S,2S)-1,2-dimethylbutyl]-(3-isobutoxypropyl)ammonium CAS Name: [(2S,3S)-3-methylpentan-2-yl]-[3-(2-methylpropoxy)propyl]ammonium IUPAC Name: [(2S,3S)-3-methylpentan-2-yl]-[3-(2-methylpropoxy)propyl]azanium Traditional Name: [(1S,2S)-1,2-dimethylbutyl]-(3-isobutoxypropyl)ammonium Formula: C13H30NO+ MolecularWeight: 216.3834

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C)[NH2+]CCCOCC(C)C

Isomeric SMILES

CC[C@H](C)[C@H](C)[NH2+]CCCOCC(C)C

InChI

InChI=1S/C13H29NO/c1-6-12(4)13(5)14-8-7-9-15-10-11(2)3/h11-14H,6-10H2,1-5H3/p+1/t12-,13-/m0/s1