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

Systemtic Name: 2-[2-chloranyl-4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-methyl-pyrrol-1-ium-1-yl]ethanal Openeye Name: 2-[2-chloro-4-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-methyl-pyrrol-1-ium-1-yl]acetaldehyde CAS Name: 2-[2-chloro-4-(3,5-ditert-butyl-4-hydroxyphenyl)-1-methyl-1-pyrrol-1-iumyl]acetaldehyde IUPAC Name: 2-[2-chloro-4-(3,5-ditert-butyl-4-hydroxyphenyl)-1-methylpyrrol-1-ium-1-yl]acetaldehyde Traditional Name: 2-[2-chloro-4-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-methyl-pyrrol-1-ium-1-yl]acetaldehyde Formula: C21H29ClNO2+ MolecularWeight: 362.91346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28ClNO2/c1-20(2,3)16-10-14(11-17(19(16)25)21(4,5)6)15-12-18(22)23(7,13-15)8-9-24/h9-13H,8H2,1-7H3/p+1