4-oxidanylidene-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]chromene-2-carboxamide

Systemtic Name: 4-oxidanylidene-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]chromene-2-carboxamide Openeye Name: 4-oxo-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]chromene-2-carboxamide CAS Name: 4-oxo-N-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]-1-benzopyran-2-carboxamide IUPAC Name: 4-oxo-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide Traditional Name: 4-keto-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]chromene-2-carboxamide Formula: C20H21N2O3S+ MolecularWeight: 369.45734

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=CC(=O)C3=CC=CC=C3O2)C4=CC=CS4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2=CC(=O)C3=CC=CC=C3O2)C4=CC=CS4

InChI

InChI=1S/C20H20N2O3S/c23-16-12-18(25-17-7-2-1-6-14(16)17)20(24)21-13-15(19-8-5-11-26-19)22-9-3-4-10-22/h1-2,5-8,11-12,15H,3-4,9-10,13H2,(H,21,24)/p+1/t15-/m0/s1