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

Systemtic Name: 4-oxidanylidene-N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]chromene-2-carboxamide Openeye Name: 4-oxo-N-[(2S)-2-piperidin-1-ium-1-yl-2-(2-thienyl)ethyl]chromene-2-carboxamide CAS Name: 4-oxo-N-[(2S)-2-(1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-1-benzopyran-2-carboxamide IUPAC Name: 4-oxo-N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide Traditional Name: 4-keto-N-[(2S)-2-piperidin-1-ium-1-yl-2-(2-thienyl)ethyl]chromene-2-carboxamide Formula: C21H23N2O3S+ MolecularWeight: 383.48392

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC(=O)C2=CC(=O)C3=CC=CC=C3O2)C4=CC=CS4

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CNC(=O)C2=CC(=O)C3=CC=CC=C3O2)C4=CC=CS4

InChI

InChI=1S/C21H22N2O3S/c24-17-13-19(26-18-8-3-2-7-15(17)18)21(25)22-14-16(20-9-6-12-27-20)23-10-4-1-5-11-23/h2-3,6-9,12-13,16H,1,4-5,10-11,14H2,(H,22,25)/p+1/t16-/m0/s1