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

Systemtic Name: 3,5-bis(bromanyl)-4-[2-(1-prop-2-enylazepan-1-ium-1-yl)ethoxy]aniline Openeye Name: 4-[2-(1-allylazepan-1-ium-1-yl)ethoxy]-3,5-dibromo-aniline CAS Name: 3,5-dibromo-4-[2-(1-prop-2-enyl-1-azepan-1-iumyl)ethoxy]aniline IUPAC Name: 3,5-dibromo-4-[2-(1-prop-2-enylazepan-1-ium-1-yl)ethoxy]aniline Traditional Name: [4-[2-(1-allylazepan-1-ium-1-yl)ethoxy]-3,5-dibromo-phenyl]amine Formula: C17H25Br2N2O+ MolecularWeight: 433.2012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25Br2N2O/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/q+1