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

Systemtic Name: (3-carbamimidoylphenyl)-ethanoyl-[(1-methylimidazol-4-yl)methylamino]-(4-propan-2-ylphenyl)azanium dihydrochloride Openeye Name: acetyl-(3-carbamimidoylphenyl)-(4-isopropylphenyl)-[(1-methylimidazol-4-yl)methylamino]ammonium dihydrochloride CAS Name: acetyl-(3-carbamimidoylphenyl)-[(1-methyl-4-imidazolyl)methylamino]-(4-propan-2-ylphenyl)ammonium dihydrochloride IUPAC Name: acetyl-(3-carbamimidoylphenyl)-[(1-methylimidazol-4-yl)methylamino]-(4-propan-2-ylphenyl)azanium dihydrochloride Traditional Name: acetyl-(3-amidinophenyl)-[(1-methylimidazol-4-yl)methylamino]-p-cumenyl-ammonium dihydrochloride Formula: C23H31Cl2N6O+ MolecularWeight: 478.43784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)[N+](C2=CC=CC(=C2)C(=N)N)(C(=O)C)NCC3=CN(C=N3)C.Cl.Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)[N+](C2=CC=CC(=C2)C(=N)N)(C(=O)C)NCC3=CN(C=N3)C.Cl.Cl

InChI

InChI=1S/C23H29N6O.2ClH/c1-16(2)18-8-10-21(11-9-18)29(17(3)30,27-13-20-14-28(4)15-26-20)22-7-5-6-19(12-22)23(24)25;;/h5-12,14-16,27H,13H2,1-4H3,(H3,24,25);2*1H/q+1;;