5-bromanyl-N-(N'-cyclooctylcarbamimidoyl)-2-dodecoxy-benzamide hydrochloride

Systemtic Name: 5-bromanyl-N-(N'-cyclooctylcarbamimidoyl)-2-dodecoxy-benzamide hydrochloride Openeye Name: 5-bromo-N-(N'-cyclooctylcarbamimidoyl)-2-dodecoxy-benzamide hydrochloride CAS Name: N-[amino(cyclooctylimino)methyl]-5-bromo-2-dodecoxybenzamide hydrochloride IUPAC Name: 5-bromo-N-(N'-cyclooctylcarbamimidoyl)-2-dodecoxybenzamide hydrochloride Traditional Name: 5-bromo-N-(N'-cyclooctylamidino)-2-lauryloxy-benzamide hydrochloride Formula: C28H47BrClN3O2 MolecularWeight: 573.04868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=NC2CCCCCCC2)N.Cl

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=NC2CCCCCCC2)N.Cl

InChI

InChI=1S/C28H46BrN3O2.ClH/c1-2-3-4-5-6-7-8-9-13-16-21-34-26-20-19-23(29)22-25(26)27(33)32-28(30)31-24-17-14-11-10-12-15-18-24;/h19-20,22,24H,2-18,21H2,1H3,(H3,30,31,32,33);1H