(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)methyl heptanoate iodide

Systemtic Name: (5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)methyl heptanoate iodide Openeye Name: (5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)methyl heptanoate iodide CAS Name: heptanoic acid (5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)methyl ester iodide IUPAC Name: (5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)methyl heptanoate iodide Traditional Name: enanthic acid (5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)methyl ester iodide Formula: C25H29IN2O2 MolecularWeight: 516.41443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OC[N+]1=CC2=C(C=C1)C(=C3C(=C2C)C4=CC=CC=C4N3)C.[I-]

Isomeric SMILES

CCCCCCC(=O)OC[N+]1=CC2=C(C=C1)C(=C3C(=C2C)C4=CC=CC=C4N3)C.[I-]

InChI

InChI=1S/C25H28N2O2.HI/c1-4-5-6-7-12-23(28)29-16-27-14-13-19-18(3)25-24(17(2)21(19)15-27)20-10-8-9-11-22(20)26-25;/h8-11,13-15H,4-7,12,16H2,1-3H3;1H