[(3S,5S)-5-methylheptan-3-yl]-[2-(2-methylpropanoylamino)ethyl]azanium

Systemtic Name: [(3S,5S)-5-methylheptan-3-yl]-[2-(2-methylpropanoylamino)ethyl]azanium Openeye Name: [(1S,3S)-1-ethyl-3-methyl-pentyl]-[2-(2-methylpropanoylamino)ethyl]ammonium CAS Name: [(3S,5S)-5-methylheptan-3-yl]-[2-[(2-methyl-1-oxopropyl)amino]ethyl]ammonium IUPAC Name: [(3S,5S)-5-methylheptan-3-yl]-[2-(2-methylpropanoylamino)ethyl]azanium Traditional Name: [(1S,3S)-1-ethyl-3-methyl-pentyl]-[2-(isobutyrylamino)ethyl]ammonium Formula: C14H31N2O+ MolecularWeight: 243.40874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H30N2O/c1-6-12(5)10-13(7-2)15-8-9-16-14(17)11(3)4/h11-13,15H,6-10H2,1-5H3,(H,16,17)/p+1/t12-,13-/m0/s1