[(3S,4S)-3-(4-methylpentoxy)heptan-4-yl]azanium

Systemtic Name: [(3S,4S)-3-(4-methylpentoxy)heptan-4-yl]azanium Openeye Name: [(1S,2S)-2-isohexyloxy-1-propyl-butyl]ammonium CAS Name: [(3S,4S)-3-(4-methylpentoxy)heptan-4-yl]ammonium IUPAC Name: [(3S,4S)-3-(4-methylpentoxy)heptan-4-yl]azanium Traditional Name: [(1S,2S)-2-isohexyloxy-1-propyl-butyl]ammonium Formula: C13H30NO+ MolecularWeight: 216.3834

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC)OCCCC(C)C)[NH3+]

Isomeric SMILES

CCC[C@@H]([C@H](CC)OCCCC(C)C)[NH3+]

InChI

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