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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H26N2/c1-3-11(2)12(13)10-14-8-6-4-5-7-9-14/h11-12H,3-10,13H2,1-2H3/p+2/t11-,12+/m0/s1