[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl]-phenethyl-azanium

Systemtic Name: [2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl]-phenethyl-azanium Openeye Name: [2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl]-phenethyl-ammonium CAS Name: [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-phenethylammonium IUPAC Name: [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-phenethylazanium Traditional Name: [2-keto-2-[[(1S)-1-methylpropyl]amino]ethyl]-phenethyl-ammonium Formula: C14H23N2O+ MolecularWeight: 235.34522

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C[NH2+]CCC1=CC=CC=C1

Isomeric SMILES

CC[C@H](C)NC(=O)C[NH2+]CCC1=CC=CC=C1

InChI

InChI=1S/C14H22N2O/c1-3-12(2)16-14(17)11-15-10-9-13-7-5-4-6-8-13/h4-8,12,15H,3,9-11H2,1-2H3,(H,16,17)/p+1/t12-/m0/s1