3-[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]propyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-oxidanyl-phenyl]propanoate

Systemtic Name: 3-[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]propyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-oxidanyl-phenyl]propanoate Openeye Name: 3-[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]propyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxy-phenyl]propanoate CAS Name: 3-[3-(2-benzotriazolyl)-5-tert-butyl-4-hydroxyphenyl]propanoic acid 3-[4-(1-methyl-4-pyridin-1-iumyl)-1-pyridin-1-iumyl]propyl ester IUPAC Name: 3-[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]propyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate Traditional Name: 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxy-phenyl]propionic acid 3-[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]propyl ester Formula: C33H37N5O3+2 MolecularWeight: 551.67858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=CC(=C1)CCC(=O)OCCC[N+]2=CC=C(C=C2)C3=CC=[N+](C=C3)C)N4N=C5C=CC=CC5=N4)O

Isomeric SMILES

CC(C)(C)C1=C(C(=CC(=C1)CCC(=O)OCCC[N+]2=CC=C(C=C2)C3=CC=[N+](C=C3)C)N4N=C5C=CC=CC5=N4)O

InChI

InChI=1S/C33H36N5O3/c1-33(2,3)27-22-24(23-30(32(27)40)38-34-28-8-5-6-9-29(28)35-38)10-11-31(39)41-21-7-16-37-19-14-26(15-20-37)25-12-17-36(4)18-13-25/h5-6,8-9,12-15,17-20,22-23H,7,10-11,16,21H2,1-4H3/q+1/p+1