hexanedioate; trimethyl-(phenylmethyl)azanium

Systemtic Name: hexanedioate; trimethyl-(phenylmethyl)azanium Openeye Name: benzyl(trimethyl)ammonium; hexanedioate CAS Name: hexanedioate; trimethyl-(phenylmethyl)ammonium IUPAC Name: benzyl(trimethyl)azanium; hexanedioate Traditional Name: adipate; benzyl(trimethyl)ammonium Formula: C26H40N2O4 MolecularWeight: 444.6068

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC1=CC=CC=C1.C[N+](C)(C)CC1=CC=CC=C1.C(CCC(=O)[O-])CC(=O)[O-]

Isomeric SMILES

C[N+](C)(C)CC1=CC=CC=C1.C[N+](C)(C)CC1=CC=CC=C1.C(CCC(=O)[O-])CC(=O)[O-]

InChI

InChI=1S/2C10H16N.C6H10O4/c2*1-11(2,3)9-10-7-5-4-6-8-10;7-5(8)3-1-2-4-6(9)10/h2*4-8H,9H2,1-3H3;1-4H2,(H,7,8)(H,9,10)/q2*+1;/p-2