2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl 2-oxidanylbenzoate; iodanylmethane

Systemtic Name: 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl 2-oxidanylbenzoate; iodanylmethane Openeye Name: 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl 2-hydroxybenzoate; iodomethane CAS Name: 2-hydroxybenzoic acid 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl ester; iodomethane IUPAC Name: 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl 2-hydroxybenzoate; iodomethane Traditional Name: 2-hydroxybenzoic acid quinolizidin-1-ylmethyl ester; iodomethane Formula: C18H26INO3 MolecularWeight: 431.30841

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Descriptors Computed from Structure

Canonical SMILES:

CI.C1CCN2CCCC(C2C1)COC(=O)C3=CC=CC=C3O

Isomeric SMILES

CI.C1CCN2CCCC(C2C1)COC(=O)C3=CC=CC=C3O

InChI

InChI=1S/C17H23NO3.CH3I/c19-16-9-2-1-7-14(16)17(20)21-12-13-6-5-11-18-10-4-3-8-15(13)18;1-2/h1-2,7,9,13,15,19H,3-6,8,10-12H2;1H3