propanedioate; triethyl-(phenylmethyl)azanium

Systemtic Name: propanedioate; triethyl-(phenylmethyl)azanium Openeye Name: benzyl(triethyl)ammonium; propanedioate CAS Name: propanedioate; triethyl-(phenylmethyl)ammonium IUPAC Name: benzyl(triethyl)azanium; propanedioate Traditional Name: benzyl(triethyl)ammonium; malonate Formula: C29H46N2O4 MolecularWeight: 486.68654

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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(C(=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(=O)[O-])C(=O)[O-]

InChI

InChI=1S/2C13H22N.C3H4O4/c2*1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;4-2(5)1-3(6)7/h2*7-11H,4-6,12H2,1-3H3;1H2,(H,4,5)(H,6,7)/q2*+1;/p-2