3-(phenylmethyl)imidazol-3-ium-1-amine; 2,4,6-trimethylbenzenesulfonate

Systemtic Name: 3-(phenylmethyl)imidazol-3-ium-1-amine; 2,4,6-trimethylbenzenesulfonate Openeye Name: 3-benzylimidazol-3-ium-1-amine; 2,4,6-trimethylbenzenesulfonate CAS Name: 3-(phenylmethyl)-1-imidazol-3-iumamine; 2,4,6-trimethylbenzenesulfonate IUPAC Name: 3-benzylimidazol-3-ium-1-amine; 2,4,6-trimethylbenzenesulfonate Traditional Name: (3-benzylimidazol-3-ium-1-yl)amine; 2,4,6-trimethylbesylate Formula: C19H23N3O3S MolecularWeight: 373.46922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.C1=CC=C(C=C1)C[N+]2=CN(C=C2)N

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.C1=CC=C(C=C1)C[N+]2=CN(C=C2)N

InChI

InChI=1S/C10H12N3.C9H12O3S/c11-13-7-6-12(9-13)8-10-4-2-1-3-5-10;1-6-4-7(2)9(8(3)5-6)13(10,11)12/h1-7,9H,8,11H2;4-5H,1-3H3,(H,10,11,12)/q+1;/p-1