[(2R)-2-(azepan-1-ium-1-yl)-3-ethyl-pentyl]azanium

Systemtic Name: [(2R)-2-(azepan-1-ium-1-yl)-3-ethyl-pentyl]azanium Openeye Name: [(2R)-2-(azepan-1-ium-1-yl)-3-ethyl-pentyl]ammonium CAS Name: [(2R)-2-(1-azepan-1-iumyl)-3-ethylpentyl]ammonium IUPAC Name: [(2R)-2-(azepan-1-ium-1-yl)-3-ethylpentyl]azanium Traditional Name: [(2R)-2-(azepan-1-ium-1-yl)-3-ethyl-pentyl]ammonium Formula: C13H30N2+2 MolecularWeight: 214.3907

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H28N2/c1-3-12(4-2)13(11-14)15-9-7-5-6-8-10-15/h12-13H,3-11,14H2,1-2H3/p+2/t13-/m0/s1