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

Systemtic Name: 2-oxidanylidene-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]chromene-3-carboxamide Openeye Name: 2-oxo-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]chromene-3-carboxamide CAS Name: 2-oxo-N-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]-1-benzopyran-3-carboxamide IUPAC Name: 2-oxo-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]chromene-3-carboxamide Traditional Name: 2-keto-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]chromene-3-carboxamide Formula: C20H21N2O3S+ MolecularWeight: 369.45734

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=CC3=CC=CC=C3OC2=O)C4=CC=CS4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2=CC3=CC=CC=C3OC2=O)C4=CC=CS4

InChI

InChI=1S/C20H20N2O3S/c23-19(15-12-14-6-1-2-7-17(14)25-20(15)24)21-13-16(18-8-5-11-26-18)22-9-3-4-10-22/h1-2,5-8,11-12,16H,3-4,9-10,13H2,(H,21,23)/p+1/t16-/m0/s1