(3-carbamimidoylphenyl)-ethanoyl-(3-methylbutylamino)-(4-propan-2-yloxyphenyl)azanium dihydrochloride

Systemtic Name: (3-carbamimidoylphenyl)-ethanoyl-(3-methylbutylamino)-(4-propan-2-yloxyphenyl)azanium dihydrochloride Openeye Name: acetyl-(3-carbamimidoylphenyl)-(isopentylamino)-(4-isopropoxyphenyl)ammonium dihydrochloride CAS Name: acetyl-(3-carbamimidoylphenyl)-(3-methylbutylamino)-(4-propan-2-yloxyphenyl)ammonium dihydrochloride IUPAC Name: acetyl-(3-carbamimidoylphenyl)-(3-methylbutylamino)-(4-propan-2-yloxyphenyl)azanium dihydrochloride Traditional Name: acetyl-(3-amidinophenyl)-(isoamylamino)-(4-isopropoxyphenyl)ammonium dihydrochloride Formula: C23H35Cl2N4O2+ MolecularWeight: 470.4556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN[N+](C1=CC=C(C=C1)OC(C)C)(C2=CC=CC(=C2)C(=N)N)C(=O)C.Cl.Cl

Isomeric SMILES

CC(C)CCN[N+](C1=CC=C(C=C1)OC(C)C)(C2=CC=CC(=C2)C(=N)N)C(=O)C.Cl.Cl

InChI

InChI=1S/C23H33N4O2.2ClH/c1-16(2)13-14-26-27(18(5)28,21-8-6-7-19(15-21)23(24)25)20-9-11-22(12-10-20)29-17(3)4;;/h6-12,15-17,26H,13-14H2,1-5H3,(H3,24,25);2*1H/q+1;;