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

Systemtic Name: 7-bromanyl-4-oxidanylidene-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]chromene-2-carboxamide Openeye Name: 7-bromo-4-oxo-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]chromene-2-carboxamide CAS Name: 7-bromo-4-oxo-N-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]-1-benzopyran-2-carboxamide IUPAC Name: 7-bromo-4-oxo-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide Traditional Name: 7-bromo-4-keto-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]chromene-2-carboxamide Formula: C20H20BrN2O3S+ MolecularWeight: 448.3534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN2O3S/c21-13-5-6-14-16(24)11-18(26-17(14)10-13)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