(E)-but-2-enedioate; triethyl-(phenylmethyl)azanium

Systemtic Name: (E)-but-2-enedioate; triethyl-(phenylmethyl)azanium Openeye Name: benzyl(triethyl)ammonium; (E)-but-2-enedioate CAS Name: (E)-2-butenedioate; triethyl-(phenylmethyl)ammonium IUPAC Name: benzyl(triethyl)azanium; (E)-but-2-enedioate Traditional Name: benzyl(triethyl)ammonium fumarate Formula: C30H46N2O4 MolecularWeight: 498.69724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C13H22N.C4H4O4/c2*1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;5-3(6)1-2-4(7)8/h2*7-11H,4-6,12H2,1-3H3;1-2H,(H,5,6)(H,7,8)/q2*+1;/p-2/b;;2-1+