[2-(4-dimethylaminophenyl)-3-(5-methyl-2-oxidanyl-phenyl)butan-2-yl]-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)-methyl-azanium

Systemtic Name: [2-(4-dimethylaminophenyl)-3-(5-methyl-2-oxidanyl-phenyl)butan-2-yl]-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)-methyl-azanium Openeye Name: [1-(4-dimethylaminophenyl)-2-(2-hydroxy-5-methyl-phenyl)-1-methyl-propyl]-(4-dimethyliminiocyclohexa-2,5-dien-1-ylidene)-methyl-ammonium CAS Name: [2-(4-dimethylaminophenyl)-3-(2-hydroxy-5-methylphenyl)butan-2-yl]-(4-dimethyliminio-1-cyclohexa-2,5-dienylidene)-methylammonium IUPAC Name: [2-(4-dimethylaminophenyl)-3-(2-hydroxy-5-methylphenyl)butan-2-yl]-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)-methylazanium Traditional Name: [1-(4-dimethylaminophenyl)-2-(2-hydroxy-5-methyl-phenyl)-1-methyl-propyl]-(4-dimethyliminiocyclohexa-2,5-dien-1-ylidene)-methyl-ammonium Formula: C28H37N3O+2 MolecularWeight: 431.61288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(C)C(C)(C2=CC=C(C=C2)N(C)C)[N+](=C3C=CC(=[N+](C)C)C=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(C)C(C)(C2=CC=C(C=C2)N(C)C)[N+](=C3C=CC(=[N+](C)C)C=C3)C

InChI

InChI=1S/C28H36N3O/c1-20-9-18-27(32)26(19-20)21(2)28(3,22-10-12-23(13-11-22)29(4)5)31(8)25-16-14-24(15-17-25)30(6)7/h9-19,21H,1-8H3/q+1/p+1