(E)-(2-azanyl-4-phenyl-imidazol-1-yl)-[(3-carbamimidoylphenyl)methylidene]-methyl-azanium dihydrochloride

Systemtic Name: (E)-(2-azanyl-4-phenyl-imidazol-1-yl)-[(3-carbamimidoylphenyl)methylidene]-methyl-azanium dihydrochloride Openeye Name: (E)-(2-amino-4-phenyl-imidazol-1-yl)-[(3-carbamimidoylphenyl)methylene]-methyl-ammonium dihydrochloride CAS Name: (E)-(2-amino-4-phenyl-1-imidazolyl)-[(3-carbamimidoylphenyl)methylidene]-methylammonium dihydrochloride IUPAC Name: (E)-(2-amino-4-phenylimidazol-1-yl)-[(3-carbamimidoylphenyl)methylidene]-methylazanium dihydrochloride Traditional Name: (E)-(3-amidinobenzylidene)-(2-amino-4-phenyl-imidazol-1-yl)-methyl-ammonium dihydrochloride Formula: C18H21Cl2N6+ MolecularWeight: 392.30554

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](=CC1=CC(=CC=C1)C(=N)N)N2C=C(N=C2N)C3=CC=CC=C3.Cl.Cl

Isomeric SMILES

C/[N+](=C\C1=CC(=CC=C1)C(=N)N)/N2C=C(N=C2N)C3=CC=CC=C3.Cl.Cl

InChI

InChI=1S/C18H19N6.2ClH/c1-23(11-13-6-5-9-15(10-13)17(19)20)24-12-16(22-18(24)21)14-7-3-2-4-8-14;;/h2-12H,1H3,(H3,19,20)(H2,21,22);2*1H/q+1;;/b23-11+;;