[(2S)-1-(azepan-1-ium-1-yl)-3-methyl-butan-2-yl]azanium

Systemtic Name: [(2S)-1-(azepan-1-ium-1-yl)-3-methyl-butan-2-yl]azanium Openeye Name: [(1S)-1-(azepan-1-ium-1-ylmethyl)-2-methyl-propyl]ammonium CAS Name: [(2S)-1-(1-azepan-1-iumyl)-3-methylbutan-2-yl]ammonium IUPAC Name: [(2S)-1-(azepan-1-ium-1-yl)-3-methylbutan-2-yl]azanium Traditional Name: [(1S)-1-(azepan-1-ium-1-ylmethyl)-2-methyl-propyl]ammonium Formula: C11H26N2+2 MolecularWeight: 186.33754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H24N2/c1-10(2)11(12)9-13-7-5-3-4-6-8-13/h10-11H,3-9,12H2,1-2H3/p+2/t11-/m1/s1