[6-(dimethylamino)-9-(3-phenoxypropyl)thioxanthen-3-ylidene]-dimethyl-azanium

Systemtic Name: [6-(dimethylamino)-9-(3-phenoxypropyl)thioxanthen-3-ylidene]-dimethyl-azanium Openeye Name: [6-(dimethylamino)-9-(3-phenoxypropyl)thioxanthen-3-ylidene]-dimethyl-ammonium CAS Name: [6-(dimethylamino)-9-(3-phenoxypropyl)-3-thioxanthenylidene]-dimethylammonium IUPAC Name: [6-(dimethylamino)-9-(3-phenoxypropyl)thioxanthen-3-ylidene]-dimethylazanium Traditional Name: [6-(dimethylamino)-9-(3-phenoxypropyl)thioxanthen-3-ylidene]-dimethyl-ammonium Formula: C26H29N2OS+ MolecularWeight: 417.58626

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3S2)CCCOC4=CC=CC=C4

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3S2)CCCOC4=CC=CC=C4

InChI

InChI=1S/C26H29N2OS/c1-27(2)19-12-14-23-22(11-8-16-29-21-9-6-5-7-10-21)24-15-13-20(28(3)4)18-26(24)30-25(23)17-19/h5-7,9-10,12-15,17-18H,8,11,16H2,1-4H3/q+1