8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octane; hexanedioate

Systemtic Name: 8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octane; hexanedioate Openeye Name: 8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octane; hexanedioate CAS Name: 8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octane; hexanedioate IUPAC Name: 8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octane; hexanedioate Traditional Name: adipate; 8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octane Formula: C26H48N2O4 MolecularWeight: 452.67032

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C2CCCC1CC2)C.CC[N+]1(C2CCCC1CC2)C.C(CCC(=O)[O-])CC(=O)[O-]

Isomeric SMILES

CC[N+]1(C2CCCC1CC2)C.CC[N+]1(C2CCCC1CC2)C.C(CCC(=O)[O-])CC(=O)[O-]

InChI

InChI=1S/2C10H20N.C6H10O4/c2*1-3-11(2)9-5-4-6-10(11)8-7-9;7-5(8)3-1-2-4-6(9)10/h2*9-10H,3-8H2,1-2H3;1-4H2,(H,7,8)(H,9,10)/q2*+1;/p-2