[(2S)-1-(azocan-1-yl)-4-methyl-1-oxidanylidene-pentan-2-yl]azanium

Systemtic Name: [(2S)-1-(azocan-1-yl)-4-methyl-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1S)-1-(azocane-1-carbonyl)-3-methyl-butyl]ammonium CAS Name: [(2S)-1-(1-azocanyl)-4-methyl-1-oxopentan-2-yl]ammonium IUPAC Name: [(2S)-1-(azocan-1-yl)-4-methyl-1-oxopentan-2-yl]azanium Traditional Name: [(1S)-1-(azocane-1-carbonyl)-3-methyl-butyl]ammonium Formula: C13H27N2O+ MolecularWeight: 227.36628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCCCCCC1)[NH3+]

Isomeric SMILES

CC(C)C[C@@H](C(=O)N1CCCCCCC1)[NH3+]

InChI

InChI=1S/C13H26N2O/c1-11(2)10-12(14)13(16)15-8-6-4-3-5-7-9-15/h11-12H,3-10,14H2,1-2H3/p+1/t12-/m0/s1