diethyl-nonyl-pentyl-azanium; hexanedioate

Systemtic Name: diethyl-nonyl-pentyl-azanium; hexanedioate Openeye Name: diethyl-nonyl-pentyl-ammonium; hexanedioate CAS Name: diethyl-nonyl-pentylammonium; hexanedioate IUPAC Name: diethyl-nonyl-pentylazanium; hexanedioate Traditional Name: adipate; amyl-diethyl-nonyl-ammonium Formula: C42H88N2O4 MolecularWeight: 685.15912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC[N+](CC)(CC)CCCCC.CCCCCCCCC[N+](CC)(CC)CCCCC.C(CCC(=O)[O-])CC(=O)[O-]

Isomeric SMILES

CCCCCCCCC[N+](CC)(CC)CCCCC.CCCCCCCCC[N+](CC)(CC)CCCCC.C(CCC(=O)[O-])CC(=O)[O-]

InChI

InChI=1S/2C18H40N.C6H10O4/c2*1-5-9-11-12-13-14-16-18-19(7-3,8-4)17-15-10-6-2;7-5(8)3-1-2-4-6(9)10/h2*5-18H2,1-4H3;1-4H2,(H,7,8)(H,9,10)/q2*+1;/p-2