[8-[2-acetyloxy-3-azanyl-5-methoxycarbonyl-4-(methylamino)phenyl]-5-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium iodide

Systemtic Name: [8-[2-acetyloxy-3-azanyl-5-methoxycarbonyl-4-(methylamino)phenyl]-5-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium iodide Openeye Name: [8-[2-acetoxy-3-amino-5-methoxycarbonyl-4-(methylamino)phenyl]-5-(dimethylamino)xanthen-3-ylidene]-dimethyl-ammonium iodide CAS Name: [8-[2-acetyloxy-3-amino-5-methoxycarbonyl-4-(methylamino)phenyl]-5-(dimethylamino)-3-xanthenylidene]-dimethylammonium iodide IUPAC Name: [8-[2-acetyloxy-3-amino-5-methoxycarbonyl-4-(methylamino)phenyl]-5-(dimethylamino)xanthen-3-ylidene]-dimethylazanium iodide Traditional Name: [8-[2-acetoxy-3-amino-5-carbomethoxy-4-(methylamino)phenyl]-5-(dimethylamino)xanthen-3-ylidene]-dimethyl-ammonium iodide Formula: C28H31IN4O5 MolecularWeight: 630.47401

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C(=C(C=C1C2=C3C=C4C=CC(=[N+](C)C)C=C4OC3=C(C=C2)N(C)C)C(=O)OC)NC)N.[I-]

Isomeric SMILES

CC(=O)OC1=C(C(=C(C=C1C2=C3C=C4C=CC(=[N+](C)C)C=C4OC3=C(C=C2)N(C)C)C(=O)OC)NC)N.[I-]

InChI

InChI=1S/C28H30N4O5.HI/c1-15(33)36-27-20(14-21(28(34)35-7)25(30-2)24(27)29)18-10-11-22(32(5)6)26-19(18)12-16-8-9-17(31(3)4)13-23(16)37-26;/h8-14H,29H2,1-7H3;1H