[(2S)-heptan-2-yl]-(3-propan-2-yloxypropyl)azanium

Systemtic Name: [(2S)-heptan-2-yl]-(3-propan-2-yloxypropyl)azanium Openeye Name: 3-isopropoxypropyl-[(1S)-1-methylhexyl]ammonium CAS Name: [(2S)-heptan-2-yl]-(3-propan-2-yloxypropyl)ammonium IUPAC Name: [(2S)-heptan-2-yl]-(3-propan-2-yloxypropyl)azanium Traditional Name: 3-isopropoxypropyl-[(1S)-1-methylhexyl]ammonium Formula: C13H30NO+ MolecularWeight: 216.3834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)[NH2+]CCCOC(C)C

Isomeric SMILES

CCCCC[C@H](C)[NH2+]CCCOC(C)C

InChI

InChI=1S/C13H29NO/c1-5-6-7-9-13(4)14-10-8-11-15-12(2)3/h12-14H,5-11H2,1-4H3/p+1/t13-/m0/s1