N-(2-azanylethyl)-N-(6-azanylhexyl)-3-[2-[2-ethyl-3,4-bis(oxidanyl)phenyl]ethyl]-2-oxidanyl-benzamide trihydrobromide

Systemtic Name: N-(2-azanylethyl)-N-(6-azanylhexyl)-3-[2-[2-ethyl-3,4-bis(oxidanyl)phenyl]ethyl]-2-oxidanyl-benzamide trihydrobromide Openeye Name: N-(2-aminoethyl)-N-(6-aminohexyl)-3-[2-(2-ethyl-3,4-dihydroxy-phenyl)ethyl]-2-hydroxy-benzamide trihydrobromide CAS Name: N-(2-aminoethyl)-N-(6-aminohexyl)-3-[2-(2-ethyl-3,4-dihydroxyphenyl)ethyl]-2-hydroxybenzamide trihydrobromide IUPAC Name: N-(2-aminoethyl)-N-(6-aminohexyl)-3-[2-(2-ethyl-3,4-dihydroxyphenyl)ethyl]-2-hydroxybenzamide trihydrobromide Traditional Name: N-(2-aminoethyl)-N-(6-aminohexyl)-3-[2-(2-ethyl-3,4-dihydroxy-phenyl)ethyl]-2-hydroxy-benzamide trihydrobromide Formula: C25H40Br3N3O4 MolecularWeight: 686.3148

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1O)O)CCC2=CC=CC(=C2O)C(=O)N(CCCCCCN)CCN.Br.Br.Br

Isomeric SMILES

CCC1=C(C=CC(=C1O)O)CCC2=CC=CC(=C2O)C(=O)N(CCCCCCN)CCN.Br.Br.Br

InChI

InChI=1S/C25H37N3O4.3BrH/c1-2-20-18(12-13-22(29)24(20)31)10-11-19-8-7-9-21(23(19)30)25(32)28(17-15-27)16-6-4-3-5-14-26;;;/h7-9,12-13,29-31H,2-6,10-11,14-17,26-27H2,1H3;3*1H