ethyl 2,2-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ium-8-carboxylate iodide

Systemtic Name: ethyl 2,2-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ium-8-carboxylate iodide Openeye Name: ethyl 2,2-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ium-8-carboxylate iodide CAS Name: 2,2-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ium-8-carboxylic acid ethyl ester iodide IUPAC Name: ethyl 2,2-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ium-8-carboxylate iodide Traditional Name: 2,2-dimethyl-1,3,4,5-tetrahydropyrid[4,3-b]indol-2-ium-8-carboxylic acid ethyl ester iodide Formula: C16H21IN2O2 MolecularWeight: 400.25461

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)NC3=C2C[N+](CC3)(C)C.[I-]

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)NC3=C2C[N+](CC3)(C)C.[I-]

InChI

InChI=1S/C16H20N2O2.HI/c1-4-20-16(19)11-5-6-14-12(9-11)13-10-18(2,3)8-7-15(13)17-14;/h5-6,9H,4,7-8,10H2,1-3H3;1H