[5-(2-azaniumylethanoyl)-3-(phenylmethyl)imidazol-4-yl]azanium dichloride

Systemtic Name: [5-(2-azaniumylethanoyl)-3-(phenylmethyl)imidazol-4-yl]azanium dichloride Openeye Name: [5-(2-azaniumylacetyl)-3-benzyl-imidazol-4-yl]ammonium dichloride CAS Name: [5-(2-ammonio-1-oxoethyl)-3-(phenylmethyl)-4-imidazolyl]ammonium dichloride IUPAC Name: [5-(2-azaniumylacetyl)-3-benzylimidazol-4-yl]azanium dichloride Traditional Name: [5-(2-ammonioacetyl)-3-benzyl-imidazol-4-yl]ammonium dichloride Formula: C12H16Cl2N4O MolecularWeight: 303.18764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC(=C2[NH3+])C(=O)C[NH3+].[Cl-].[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC(=C2[NH3+])C(=O)C[NH3+].[Cl-].[Cl-]

InChI

InChI=1S/C12H14N4O.2ClH/c13-6-10(17)11-12(14)16(8-15-11)7-9-4-2-1-3-5-9;;/h1-5,8H,6-7,13-14H2;2*1H