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

Systemtic Name: 6-chloranyl-4-oxidanylidene-N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]chromene-2-carboxamide Openeye Name: 6-chloro-4-oxo-N-[(2S)-2-piperidin-1-ium-1-yl-2-(2-thienyl)ethyl]chromene-2-carboxamide CAS Name: 6-chloro-4-oxo-N-[(2S)-2-(1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-1-benzopyran-2-carboxamide IUPAC Name: 6-chloro-4-oxo-N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide Traditional Name: 6-chloro-4-keto-N-[(2S)-2-piperidin-1-ium-1-yl-2-(2-thienyl)ethyl]chromene-2-carboxamide Formula: C21H22ClN2O3S+ MolecularWeight: 417.92898

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)Cl)C4=CC=CS4

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CNC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)Cl)C4=CC=CS4

InChI

InChI=1S/C21H21ClN2O3S/c22-14-6-7-18-15(11-14)17(25)12-19(27-18)21(26)23-13-16(20-5-4-10-28-20)24-8-2-1-3-9-24/h4-7,10-12,16H,1-3,8-9,13H2,(H,23,26)/p+1/t16-/m0/s1