2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylate; trimethyl-(phenylmethyl)azanium

Systemtic Name: 2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylate; trimethyl-(phenylmethyl)azanium Openeye Name: benzyl(trimethyl)ammonium; 2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylate CAS Name: 2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylate; trimethyl-(phenylmethyl)ammonium IUPAC Name: benzyl(trimethyl)azanium; 2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylate Traditional Name: benzyl(trimethyl)ammonium; 2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylate Formula: C16H25N3O2 MolecularWeight: 291.3886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NCCC(N1)C(=O)[O-].C[N+](C)(C)CC1=CC=CC=C1

Isomeric SMILES

CC1=NCCC(N1)C(=O)[O-].C[N+](C)(C)CC1=CC=CC=C1

InChI

InChI=1S/C10H16N.C6H10N2O2/c1-11(2,3)9-10-7-5-4-6-8-10;1-4-7-3-2-5(8-4)6(9)10/h4-8H,9H2,1-3H3;5H,2-3H2,1H3,(H,7,8)(H,9,10)/q+1;/p-1