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

Systemtic Name: 2-[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-methyl-2-methylsulfanyl-pyrrol-1-ium-1-yl]ethanal Openeye Name: 2-[4-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-methyl-2-methylsulfanyl-pyrrol-1-ium-1-yl]acetaldehyde CAS Name: 2-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-1-methyl-2-(methylthio)-1-pyrrol-1-iumyl]acetaldehyde IUPAC Name: 2-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-1-methyl-2-methylsulfanylpyrrol-1-ium-1-yl]acetaldehyde Traditional Name: 2-[4-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-methyl-2-(methylthio)pyrrol-1-ium-1-yl]acetaldehyde Formula: C22H32NO2S+ MolecularWeight: 374.55998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=C[N+](C(=C2)SC)(C)CC=O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=C[N+](C(=C2)SC)(C)CC=O

InChI

InChI=1S/C22H31NO2S/c1-21(2,3)17-11-15(12-18(20(17)25)22(4,5)6)16-13-19(26-8)23(7,14-16)9-10-24/h10-14H,9H2,1-8H3/p+1