[(1R,2R)-2-oxidanyl-2,3-dihydro-1H-indolizin-4-ium-1-yl] 4-methylbenzoate chloride

Systemtic Name: [(1R,2R)-2-oxidanyl-2,3-dihydro-1H-indolizin-4-ium-1-yl] 4-methylbenzoate chloride Openeye Name: [(1R,2R)-2-hydroxy-2,3-dihydro-1H-indolizin-4-ium-1-yl] 4-methylbenzoate chloride CAS Name: 4-methylbenzoic acid [(1R,2R)-2-hydroxy-2,3-dihydro-1H-indolizin-4-ium-1-yl] ester chloride IUPAC Name: [(1R,2R)-2-hydroxy-2,3-dihydro-1H-indolizin-4-ium-1-yl] 4-methylbenzoate chloride Traditional Name: 4-methylbenzoic acid [(1R,2R)-2-hydroxy-2,3-dihydro-1H-indolizin-4-ium-1-yl] ester chloride Formula: C16H16ClNO3 MolecularWeight: 305.75614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2C(C[N+]3=CC=CC=C23)O.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)O[C@H]2[C@@H](C[N+]3=CC=CC=C23)O.[Cl-]

InChI

InChI=1S/C16H16NO3.ClH/c1-11-5-7-12(8-6-11)16(19)20-15-13-4-2-3-9-17(13)10-14(15)18;/h2-9,14-15,18H,10H2,1H3;1H/q+1;/p-1/t14-,15-;/m1./s1