[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-(2-thiophen-2-ylethyl)azanium

Systemtic Name: [(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-(2-thiophen-2-ylethyl)azanium Openeye Name: [(1S)-1-methyl-2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl]-[2-(2-thienyl)ethyl]ammonium CAS Name: [(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]-(2-thiophen-2-ylethyl)ammonium IUPAC Name: [(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]-(2-thiophen-2-ylethyl)azanium Traditional Name: [(1S)-2-keto-1-methyl-2-[[(1S)-1-methylpropyl]amino]ethyl]-[2-(2-thienyl)ethyl]ammonium Formula: C13H23N2OS+ MolecularWeight: 255.39952

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C(C)[NH2+]CCC1=CC=CS1

Isomeric SMILES

CC[C@H](C)NC(=O)[C@H](C)[NH2+]CCC1=CC=CS1

InChI

InChI=1S/C13H22N2OS/c1-4-10(2)15-13(16)11(3)14-8-7-12-6-5-9-17-12/h5-6,9-11,14H,4,7-8H2,1-3H3,(H,15,16)/p+1/t10-,11-/m0/s1