[6-(dimethylamino)-9-[4-(2-methylpropyl)phenyl]xanthen-3-ylidene]-dimethyl-azanium

Systemtic Name: [6-(dimethylamino)-9-[4-(2-methylpropyl)phenyl]xanthen-3-ylidene]-dimethyl-azanium Openeye Name: [6-(dimethylamino)-9-(4-isobutylphenyl)xanthen-3-ylidene]-dimethyl-ammonium CAS Name: [6-(dimethylamino)-9-[4-(2-methylpropyl)phenyl]-3-xanthenylidene]-dimethylammonium IUPAC Name: [6-(dimethylamino)-9-[4-(2-methylpropyl)phenyl]xanthen-3-ylidene]-dimethylazanium Traditional Name: [6-(dimethylamino)-9-(4-isobutylphenyl)xanthen-3-ylidene]-dimethyl-ammonium Formula: C27H31N2O+ MolecularWeight: 399.54784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C2=C3C=CC(=[N+](C)C)C=C3OC4=C2C=CC(=C4)N(C)C

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C2=C3C=CC(=[N+](C)C)C=C3OC4=C2C=CC(=C4)N(C)C

InChI

InChI=1S/C27H31N2O/c1-18(2)15-19-7-9-20(10-8-19)27-23-13-11-21(28(3)4)16-25(23)30-26-17-22(29(5)6)12-14-24(26)27/h7-14,16-18H,15H2,1-6H3/q+1