[(2S)-1-(butylamino)-1-oxidanylidene-propan-2-yl]-(3-methylbutyl)azanium

Systemtic Name: [(2S)-1-(butylamino)-1-oxidanylidene-propan-2-yl]-(3-methylbutyl)azanium Openeye Name: [(1S)-2-(butylamino)-1-methyl-2-oxo-ethyl]-isopentyl-ammonium CAS Name: [(2S)-1-(butylamino)-1-oxopropan-2-yl]-(3-methylbutyl)ammonium IUPAC Name: [(2S)-1-(butylamino)-1-oxopropan-2-yl]-(3-methylbutyl)azanium Traditional Name: [(1S)-2-(butylamino)-2-keto-1-methyl-ethyl]-isoamyl-ammonium Formula: C12H27N2O+ MolecularWeight: 215.35558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C)[NH2+]CCC(C)C

Isomeric SMILES

CCCCNC(=O)[C@H](C)[NH2+]CCC(C)C

InChI

InChI=1S/C12H26N2O/c1-5-6-8-14-12(15)11(4)13-9-7-10(2)3/h10-11,13H,5-9H2,1-4H3,(H,14,15)/p+1/t11-/m0/s1