(3-carbamimidoylphenyl)-ethanoyl-(4-phenylmethoxybutylamino)-(4-propan-2-ylphenyl)azanium dihydrochloride

Systemtic Name: (3-carbamimidoylphenyl)-ethanoyl-(4-phenylmethoxybutylamino)-(4-propan-2-ylphenyl)azanium dihydrochloride Openeye Name: acetyl-(4-benzyloxybutylamino)-(3-carbamimidoylphenyl)-(4-isopropylphenyl)ammonium dihydrochloride CAS Name: acetyl-(3-carbamimidoylphenyl)-(4-phenylmethoxybutylamino)-(4-propan-2-ylphenyl)ammonium dihydrochloride IUPAC Name: acetyl-(3-carbamimidoylphenyl)-(4-phenylmethoxybutylamino)-(4-propan-2-ylphenyl)azanium dihydrochloride Traditional Name: acetyl-(3-amidinophenyl)-(4-benzoxybutylamino)-p-cumenyl-ammonium dihydrochloride Formula: C29H39Cl2N4O2+ MolecularWeight: 546.55156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)[N+](C2=CC=CC(=C2)C(=N)N)(C(=O)C)NCCCCOCC3=CC=CC=C3.Cl.Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)[N+](C2=CC=CC(=C2)C(=N)N)(C(=O)C)NCCCCOCC3=CC=CC=C3.Cl.Cl

InChI

InChI=1S/C29H37N4O2.2ClH/c1-22(2)25-14-16-27(17-15-25)33(23(3)34,28-13-9-12-26(20-28)29(30)31)32-18-7-8-19-35-21-24-10-5-4-6-11-24;;/h4-6,9-17,20,22,32H,7-8,18-19,21H2,1-3H3,(H3,30,31);2*1H/q+1;;