3,5-bis(bromanyl)-4-[2-(1-prop-2-enylazepan-1-ium-1-yl)ethoxy]aniline bromide

Systemtic Name: 3,5-bis(bromanyl)-4-[2-(1-prop-2-enylazepan-1-ium-1-yl)ethoxy]aniline bromide Openeye Name: 4-[2-(1-allylazepan-1-ium-1-yl)ethoxy]-3,5-dibromo-aniline bromide CAS Name: 3,5-dibromo-4-[2-(1-prop-2-enyl-1-azepan-1-iumyl)ethoxy]aniline bromide IUPAC Name: 3,5-dibromo-4-[2-(1-prop-2-enylazepan-1-ium-1-yl)ethoxy]aniline bromide Traditional Name: [4-[2-(1-allylazepan-1-ium-1-yl)ethoxy]-3,5-dibromo-phenyl]amine bromide Formula: C17H25Br3N2O MolecularWeight: 513.1052

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1(CCCCCC1)CCOC2=C(C=C(C=C2Br)N)Br.[Br-]

Isomeric SMILES

C=CC[N+]1(CCCCCC1)CCOC2=C(C=C(C=C2Br)N)Br.[Br-]

InChI

InChI=1S/C17H25Br2N2O.BrH/c1-2-7-21(8-5-3-4-6-9-21)10-11-22-17-15(18)12-14(20)13-16(17)19;/h2,12-13H,1,3-11,20H2;1H/q+1;/p-1