[(3S,4S,5R,6S)-4,5-diacetyloxy-6-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)oxan-3-yl] ethanoate bromide

Systemtic Name: [(3S,4S,5R,6S)-4,5-diacetyloxy-6-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)oxan-3-yl] ethanoate bromide Openeye Name: [(3S,4S,5R,6S)-4,5-diacetoxy-6-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)tetrahydropyran-3-yl] acetate bromide CAS Name: acetic acid [(3S,4S,5R,6S)-4,5-diacetyloxy-6-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)-3-oxanyl] ester bromide IUPAC Name: [(3S,4S,5R,6S)-4,5-diacetyloxy-6-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)oxan-3-yl] acetate bromide Traditional Name: acetic acid [(3S,4S,5R,6S)-4,5-diacetoxy-6-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)tetrahydropyran-3-yl] ester bromide Formula: C28H29BrN2O7 MolecularWeight: 585.44306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C3=C1C=C[N+](=C3)C4C(C(C(CO4)OC(=O)C)OC(=O)C)OC(=O)C)C)C5=CC=CC=C5N2.[Br-]

Isomeric SMILES

CC1=C2C(=C(C3=C1C=C[N+](=C3)[C@@H]4[C@@H]([C@H]([C@H](CO4)OC(=O)C)OC(=O)C)OC(=O)C)C)C5=CC=CC=C5N2.[Br-]

InChI

InChI=1S/C28H28N2O7.BrH/c1-14-21-12-30(11-10-19(21)15(2)25-24(14)20-8-6-7-9-22(20)29-25)28-27(37-18(5)33)26(36-17(4)32)23(13-34-28)35-16(3)31;/h6-12,23,26-28H,13H2,1-5H3;1H/t23-,26-,27+,28-;/m0./s1