ethyl 1,1,4-tris(5-bromanylpyridin-2-yl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1,1,4-tris(5-bromanylpyridin-2-yl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1,1,4-tris(5-bromo-2-pyridyl)piperidin-1-ium-4-carboxylate CAS Name: 1,1,4-tris(5-bromo-2-pyridinyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1,1,4-tris(5-bromopyridin-2-yl)piperidin-1-ium-4-carboxylate Traditional Name: 1,1,4-tris(5-bromo-2-pyridyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C23H22Br3N4O2+ MolecularWeight: 626.15838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[N+](CC1)(C2=NC=C(C=C2)Br)C3=NC=C(C=C3)Br)C4=NC=C(C=C4)Br

Isomeric SMILES

CCOC(=O)C1(CC[N+](CC1)(C2=NC=C(C=C2)Br)C3=NC=C(C=C3)Br)C4=NC=C(C=C4)Br

InChI

InChI=1S/C23H22Br3N4O2/c1-2-32-22(31)23(19-6-3-16(24)13-27-19)9-11-30(12-10-23,20-7-4-17(25)14-28-20)21-8-5-18(26)15-29-21/h3-8,13-15H,2,9-12H2,1H3/q+1