2,6-dimethylheptan-4-yl-[(2S)-1-oxidanylbutan-2-yl]azanium

Systemtic Name: 2,6-dimethylheptan-4-yl-[(2S)-1-oxidanylbutan-2-yl]azanium Openeye Name: [(1S)-1-(hydroxymethyl)propyl]-(1-isobutyl-3-methyl-butyl)ammonium CAS Name: 2,6-dimethylheptan-4-yl-[(2S)-1-hydroxybutan-2-yl]ammonium IUPAC Name: 2,6-dimethylheptan-4-yl-[(2S)-1-hydroxybutan-2-yl]azanium Traditional Name: (1-isobutyl-3-methyl-butyl)-[(1S)-1-methylolpropyl]ammonium Formula: C13H30NO+ MolecularWeight: 216.3834

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)[NH2+]C(CC(C)C)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C13H29NO/c1-6-12(9-15)14-13(7-10(2)3)8-11(4)5/h10-15H,6-9H2,1-5H3/p+1/t12-/m0/s1