5-(imidazo[1,2-a]pyridin-4-ium-1-ylmethyl)-3,3-diphenyl-oxolan-2-one chloride hydrate

Systemtic Name: 5-(imidazo[1,2-a]pyridin-4-ium-1-ylmethyl)-3,3-diphenyl-oxolan-2-one chloride hydrate Openeye Name: 5-(imidazo[1,2-a]pyridin-4-ium-1-ylmethyl)-3,3-diphenyl-tetrahydrofuran-2-one chloride hydrate CAS Name: 5-(1-imidazo[1,2-a]pyridin-4-iumylmethyl)-3,3-diphenyl-2-oxolanone chloride hydrate IUPAC Name: 5-(imidazo[1,2-a]pyridin-4-ium-1-ylmethyl)-3,3-diphenyloxolan-2-one chloride hydrate Traditional Name: 5-(imidazo[1,2-a]pyridin-4-ium-1-ylmethyl)-3,3-diphenyl-tetrahydrofuran-2-one chloride hydrate Formula: C24H23ClN2O3 MolecularWeight: 422.90402

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)C1(C2=CC=CC=C2)C3=CC=CC=C3)CN4C=C[N+]5=CC=CC=C45.O.[Cl-]

Isomeric SMILES

C1C(OC(=O)C1(C2=CC=CC=C2)C3=CC=CC=C3)CN4C=C[N+]5=CC=CC=C45.O.[Cl-]

InChI

InChI=1S/C24H21N2O2.ClH.H2O/c27-23-24(19-9-3-1-4-10-19,20-11-5-2-6-12-20)17-21(28-23)18-26-16-15-25-14-8-7-13-22(25)26;;/h1-16,21H,17-18H2;1H;1H2/q+1;;/p-1