2-methylidenebutanedioate; trimethyl-(phenylmethyl)azanium

Systemtic Name: 2-methylidenebutanedioate; trimethyl-(phenylmethyl)azanium Openeye Name: benzyl(trimethyl)ammonium; 2-methylenebutanedioate CAS Name: 2-methylenebutanedioate; trimethyl-(phenylmethyl)ammonium IUPAC Name: benzyl(trimethyl)azanium; 2-methylidenebutanedioate Traditional Name: benzyl(trimethyl)ammonium; itaconate Formula: C25H36N2O4 MolecularWeight: 428.56434

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

Isomeric SMILES

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

InChI

InChI=1S/2C10H16N.C5H6O4/c2*1-11(2,3)9-10-7-5-4-6-8-10;1-3(5(8)9)2-4(6)7/h2*4-8H,9H2,1-3H3;1-2H2,(H,6,7)(H,8,9)/q2*+1;/p-2