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

Systemtic Name: 3-methylbutyl-[(2S)-1-oxidanylidene-1-(pentylamino)propan-2-yl]azanium Openeye Name: isopentyl-[(1S)-1-methyl-2-oxo-2-(pentylamino)ethyl]ammonium CAS Name: 3-methylbutyl-[(2S)-1-oxo-1-(pentylamino)propan-2-yl]ammonium IUPAC Name: 3-methylbutyl-[(2S)-1-oxo-1-(pentylamino)propan-2-yl]azanium Traditional Name: [(1S)-2-(amylamino)-2-keto-1-methyl-ethyl]-isoamyl-ammonium Formula: C13H29N2O+ MolecularWeight: 229.38216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H28N2O/c1-5-6-7-9-15-13(16)12(4)14-10-8-11(2)3/h11-12,14H,5-10H2,1-4H3,(H,15,16)/p+1/t12-/m0/s1