4-[3,5-bis(bromanyl)-4-phenoxy-phenoxy]-2-(1-methylpiperazin-1-ium-1-yl)carbonyl-3-oxidanylidene-hexanenitrile

Systemtic Name: 4-[3,5-bis(bromanyl)-4-phenoxy-phenoxy]-2-(1-methylpiperazin-1-ium-1-yl)carbonyl-3-oxidanylidene-hexanenitrile Openeye Name: 4-(3,5-dibromo-4-phenoxy-phenoxy)-2-(1-methylpiperazin-1-ium-1-carbonyl)-3-oxo-hexanenitrile CAS Name: 4-(3,5-dibromo-4-phenoxyphenoxy)-2-[(1-methyl-1-piperazin-1-iumyl)-oxomethyl]-3-oxohexanenitrile IUPAC Name: 4-(3,5-dibromo-4-phenoxyphenoxy)-2-(1-methylpiperazin-1-ium-1-carbonyl)-3-oxohexanenitrile Traditional Name: 4-(3,5-dibromo-4-phenoxy-phenoxy)-3-keto-2-(1-methylpiperazin-1-ium-1-carbonyl)hexanenitrile Formula: C24H26Br2N3O4+ MolecularWeight: 580.28894

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C(C#N)C(=O)[N+]1(CCNCC1)C)OC2=CC(=C(C(=C2)Br)OC3=CC=CC=C3)Br

Isomeric SMILES

CCC(C(=O)C(C#N)C(=O)[N+]1(CCNCC1)C)OC2=CC(=C(C(=C2)Br)OC3=CC=CC=C3)Br

InChI

InChI=1S/C24H26Br2N3O4/c1-3-21(22(30)18(15-27)24(31)29(2)11-9-28-10-12-29)32-17-13-19(25)23(20(26)14-17)33-16-7-5-4-6-8-16/h4-8,13-14,18,21,28H,3,9-12H2,1-2H3/q+1