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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)C(C)[NH2+]CCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C13H28N2O/c1-6-12(7-2)15-13(16)11(5)14-9-8-10(3)4/h10-12,14H,6-9H2,1-5H3,(H,15,16)/p+1/t11-/m0/s1