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

Systemtic Name: 6-chloranyl-4-oxidanylidene-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]chromene-2-carboxamide Openeye Name: 6-chloro-4-oxo-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]chromene-2-carboxamide CAS Name: 6-chloro-4-oxo-N-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]-1-benzopyran-2-carboxamide IUPAC Name: 6-chloro-4-oxo-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide Traditional Name: 6-chloro-4-keto-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]chromene-2-carboxamide Formula: C20H20ClN2O3S+ MolecularWeight: 403.9024

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)Cl)C4=CC=CS4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)Cl)C4=CC=CS4

InChI

InChI=1S/C20H19ClN2O3S/c21-13-5-6-17-14(10-13)16(24)11-18(26-17)20(25)22-12-15(19-4-3-9-27-19)23-7-1-2-8-23/h3-6,9-11,15H,1-2,7-8,12H2,(H,22,25)/p+1/t15-/m0/s1