N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-oxidanylidene-chromene-3-carboxamide

Systemtic Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-oxidanylidene-chromene-3-carboxamide Openeye Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-oxo-chromene-3-carboxamide CAS Name: N-[(2R)-2-(2-chlorophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-oxo-1-benzopyran-3-carboxamide IUPAC Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2-oxochromene-3-carboxamide Traditional Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-keto-chromene-3-carboxamide Formula: C22H22ClN2O3+ MolecularWeight: 397.87468

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=CC3=CC=CC=C3OC2=O)C4=CC=CC=C4Cl

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2=CC3=CC=CC=C3OC2=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C22H21ClN2O3/c23-18-9-3-2-8-16(18)19(25-11-5-6-12-25)14-24-21(26)17-13-15-7-1-4-10-20(15)28-22(17)27/h1-4,7-10,13,19H,5-6,11-12,14H2,(H,24,26)/p+1/t19-/m0/s1