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

Systemtic Name: 2-[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1,2-diethyl-pyrrol-1-ium-1-yl]ethanal Openeye Name: 2-[4-(3,5-ditert-butyl-4-hydroxy-phenyl)-1,2-diethyl-pyrrol-1-ium-1-yl]acetaldehyde CAS Name: 2-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-1,2-diethyl-1-pyrrol-1-iumyl]acetaldehyde IUPAC Name: 2-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-1,2-diethylpyrrol-1-ium-1-yl]acetaldehyde Traditional Name: 2-[4-(3,5-ditert-butyl-4-hydroxy-phenyl)-1,2-diethyl-pyrrol-1-ium-1-yl]acetaldehyde Formula: C24H36NO2+ MolecularWeight: 370.54814

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C[N+]1(CC)CC=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCC1=CC(=C[N+]1(CC)CC=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C24H35NO2/c1-9-19-13-18(16-25(19,10-2)11-12-26)17-14-20(23(3,4)5)22(27)21(15-17)24(6,7)8/h12-16H,9-11H2,1-8H3/p+1