(3-carbamimidoylphenyl)-ethanoyl-(4-propan-2-ylphenyl)-[(1-propylimidazol-4-yl)methylamino]azanium dihydrochloride

Systemtic Name: (3-carbamimidoylphenyl)-ethanoyl-(4-propan-2-ylphenyl)-[(1-propylimidazol-4-yl)methylamino]azanium dihydrochloride Openeye Name: acetyl-(3-carbamimidoylphenyl)-(4-isopropylphenyl)-[(1-propylimidazol-4-yl)methylamino]ammonium dihydrochloride CAS Name: acetyl-(3-carbamimidoylphenyl)-(4-propan-2-ylphenyl)-[(1-propyl-4-imidazolyl)methylamino]ammonium dihydrochloride IUPAC Name: acetyl-(3-carbamimidoylphenyl)-(4-propan-2-ylphenyl)-[(1-propylimidazol-4-yl)methylamino]azanium dihydrochloride Traditional Name: acetyl-(3-amidinophenyl)-p-cumenyl-[(1-propylimidazol-4-yl)methylamino]ammonium dihydrochloride Formula: C25H35Cl2N6O+ MolecularWeight: 506.491

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(N=C1)CN[N+](C2=CC=C(C=C2)C(C)C)(C3=CC=CC(=C3)C(=N)N)C(=O)C.Cl.Cl

Isomeric SMILES

CCCN1C=C(N=C1)CN[N+](C2=CC=C(C=C2)C(C)C)(C3=CC=CC(=C3)C(=N)N)C(=O)C.Cl.Cl

InChI

InChI=1S/C25H33N6O.2ClH/c1-5-13-30-16-22(28-17-30)15-29-31(19(4)32,23-11-9-20(10-12-23)18(2)3)24-8-6-7-21(14-24)25(26)27;;/h6-12,14,16-18,29H,5,13,15H2,1-4H3,(H3,26,27);2*1H/q+1;;