2-(4-methyl-4-propan-2-yl-5-sulfanylidene-1H-imidazol-2-yl)benzoate; trimethyl-(phenylmethyl)azanium

Systemtic Name: 2-(4-methyl-4-propan-2-yl-5-sulfanylidene-1H-imidazol-2-yl)benzoate; trimethyl-(phenylmethyl)azanium Openeye Name: benzyl(trimethyl)ammonium; 2-(4-isopropyl-4-methyl-5-thioxo-1H-imidazol-2-yl)benzoate CAS Name: 2-(4-methyl-4-propan-2-yl-5-sulfanylidene-1H-imidazol-2-yl)benzoate; trimethyl-(phenylmethyl)ammonium IUPAC Name: benzyl(trimethyl)azanium; 2-(4-methyl-4-propan-2-yl-5-sulfanylidene-1H-imidazol-2-yl)benzoate Traditional Name: benzyl(trimethyl)ammonium; 2-(4-isopropyl-4-methyl-5-thioxo-2-imidazolin-2-yl)benzoate Formula: C24H31N3O2S MolecularWeight: 425.58684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(C(=S)NC(=N1)C2=CC=CC=C2C(=O)[O-])C.C[N+](C)(C)CC1=CC=CC=C1

Isomeric SMILES

CC(C)C1(C(=S)NC(=N1)C2=CC=CC=C2C(=O)[O-])C.C[N+](C)(C)CC1=CC=CC=C1

InChI

InChI=1S/C14H16N2O2S.C10H16N/c1-8(2)14(3)13(19)15-11(16-14)9-6-4-5-7-10(9)12(17)18;1-11(2,3)9-10-7-5-4-6-8-10/h4-8H,1-3H3,(H,17,18)(H,15,16,19);4-8H,9H2,1-3H3/q;+1/p-1