[(2S)-1-(azepan-1-ium-1-yl)-4-methyl-pentan-2-yl]azanium

Systemtic Name: [(2S)-1-(azepan-1-ium-1-yl)-4-methyl-pentan-2-yl]azanium Openeye Name: [(1S)-1-(azepan-1-ium-1-ylmethyl)-3-methyl-butyl]ammonium CAS Name: [(2S)-1-(1-azepan-1-iumyl)-4-methylpentan-2-yl]ammonium IUPAC Name: [(2S)-1-(azepan-1-ium-1-yl)-4-methylpentan-2-yl]azanium Traditional Name: [(1S)-1-(azepan-1-ium-1-ylmethyl)-3-methyl-butyl]ammonium Formula: C12H28N2+2 MolecularWeight: 200.36412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C[NH+]1CCCCCC1)[NH3+]

Isomeric SMILES

CC(C)C[C@@H](C[NH+]1CCCCCC1)[NH3+]

InChI

InChI=1S/C12H26N2/c1-11(2)9-12(13)10-14-7-5-3-4-6-8-14/h11-12H,3-10,13H2,1-2H3/p+2/t12-/m0/s1