4-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)-2,3-dihydrochromene-4-carboxylate

Systemtic Name: 4-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)-2,3-dihydrochromene-4-carboxylate Openeye Name: 4-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)chromane-4-carboxylate CAS Name: 4-phenyl-2-(1-pyrrolidin-1-iumylmethyl)-3,4-dihydro-2H-1-benzopyran-4-carboxylate IUPAC Name: 4-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)-2,3-dihydrochromene-4-carboxylate Traditional Name: 4-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)chroman-4-carboxylate Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2CC(C3=CC=CC=C3O2)(C4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CC2CC(C3=CC=CC=C3O2)(C4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C21H23NO3/c23-20(24)21(16-8-2-1-3-9-16)14-17(15-22-12-6-7-13-22)25-19-11-5-4-10-18(19)21/h1-5,8-11,17H,6-7,12-15H2,(H,23,24)