2-(2-methylpropanoylamino)ethyl-[(2S)-octan-2-yl]azanium

Systemtic Name: 2-(2-methylpropanoylamino)ethyl-[(2S)-octan-2-yl]azanium Openeye Name: [(1S)-1-methylheptyl]-[2-(2-methylpropanoylamino)ethyl]ammonium CAS Name: 2-[(2-methyl-1-oxopropyl)amino]ethyl-[(2S)-octan-2-yl]ammonium IUPAC Name: 2-(2-methylpropanoylamino)ethyl-[(2S)-octan-2-yl]azanium Traditional Name: 2-(isobutyrylamino)ethyl-[(1S)-1-methylheptyl]ammonium Formula: C14H31N2O+ MolecularWeight: 243.40874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)[NH2+]CCNC(=O)C(C)C

Isomeric SMILES

CCCCCC[C@H](C)[NH2+]CCNC(=O)C(C)C

InChI

InChI=1S/C14H30N2O/c1-5-6-7-8-9-13(4)15-10-11-16-14(17)12(2)3/h12-13,15H,5-11H2,1-4H3,(H,16,17)/p+1/t13-/m0/s1