5-azanyl-1-(4-chlorophenyl)-3-methyl-imidazol-3-ium-4-carboxamide; 4-methylbenzenesulfonate

Systemtic Name: 5-azanyl-1-(4-chlorophenyl)-3-methyl-imidazol-3-ium-4-carboxamide; 4-methylbenzenesulfonate Openeye Name: 5-amino-1-(4-chlorophenyl)-3-methyl-imidazol-3-ium-4-carboxamide; 4-methylbenzenesulfonate CAS Name: 5-amino-1-(4-chlorophenyl)-3-methyl-4-imidazol-3-iumcarboxamide; 4-methylbenzenesulfonate IUPAC Name: 5-amino-1-(4-chlorophenyl)-3-methylimidazol-3-ium-4-carboxamide; 4-methylbenzenesulfonate Traditional Name: 5-amino-1-(4-chlorophenyl)-3-methyl-imidazol-3-ium-4-carboxamide tosylate Formula: C18H19ClN4O4S MolecularWeight: 422.88586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CN(C(=C1C(=O)N)N)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CN(C(=C1C(=O)N)N)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C11H11ClN4O.C7H8O3S/c1-15-6-16(10(13)9(15)11(14)17)8-4-2-7(12)3-5-8;1-6-2-4-7(5-3-6)11(8,9)10/h2-6H,1H3,(H3-,13,14,17);2-5H,1H3,(H,8,9,10)