2-[2-bromanyl-4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-ethyl-pyrrol-1-ium-1-yl]ethanal

Systemtic Name: 2-[2-bromanyl-4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-ethyl-pyrrol-1-ium-1-yl]ethanal Openeye Name: 2-[2-bromo-4-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-ethyl-pyrrol-1-ium-1-yl]acetaldehyde CAS Name: 2-[2-bromo-4-(3,5-ditert-butyl-4-hydroxyphenyl)-1-ethyl-1-pyrrol-1-iumyl]acetaldehyde IUPAC Name: 2-[2-bromo-4-(3,5-ditert-butyl-4-hydroxyphenyl)-1-ethylpyrrol-1-ium-1-yl]acetaldehyde Traditional Name: 2-[2-bromo-4-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-ethyl-pyrrol-1-ium-1-yl]acetaldehyde Formula: C22H31BrNO2+ MolecularWeight: 421.39104

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C=C(C=C1Br)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)CC=O

Isomeric SMILES

CC[N+]1(C=C(C=C1Br)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)CC=O

InChI

InChI=1S/C22H30BrNO2/c1-8-24(9-10-25)14-16(13-19(24)23)15-11-17(21(2,3)4)20(26)18(12-15)22(5,6)7/h10-14H,8-9H2,1-7H3/p+1