[6-[azanyl(methyl)amino]-9-(2-sulfophenyl)xanthen-3-ylidene]-dimethyl-azanium

Systemtic Name: [6-[azanyl(methyl)amino]-9-(2-sulfophenyl)xanthen-3-ylidene]-dimethyl-azanium Openeye Name: [6-[amino(methyl)amino]-9-(2-sulfophenyl)xanthen-3-ylidene]-dimethyl-ammonium CAS Name: [6-[amino(methyl)amino]-9-(2-sulfophenyl)-3-xanthenylidene]-dimethylammonium IUPAC Name: [6-[amino(methyl)amino]-9-(2-sulfophenyl)xanthen-3-ylidene]-dimethylazanium Traditional Name: [6-[amino(methyl)amino]-9-(2-sulfophenyl)xanthen-3-ylidene]-dimethyl-ammonium Formula: C22H22N3O4S+ MolecularWeight: 424.49278

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=CC=CC=C4S(=O)(=O)O)N

Isomeric SMILES

CN(C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=CC=CC=C4S(=O)(=O)O)N

InChI

InChI=1S/C22H21N3O4S/c1-24(2)14-8-10-16-19(12-14)29-20-13-15(25(3)23)9-11-17(20)22(16)18-6-4-5-7-21(18)30(26,27)28/h4-13H,23H2,1-3H3/p+1