6,7-dimethyl-4-oxidanylidene-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]chromene-2-carboxamide

Systemtic Name: 6,7-dimethyl-4-oxidanylidene-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]chromene-2-carboxamide Openeye Name: 6,7-dimethyl-4-oxo-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]chromene-2-carboxamide CAS Name: 6,7-dimethyl-4-oxo-N-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]-1-benzopyran-2-carboxamide IUPAC Name: 6,7-dimethyl-4-oxo-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide Traditional Name: 4-keto-6,7-dimethyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]chromene-2-carboxamide Formula: C22H25N2O3S+ MolecularWeight: 397.5105

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=O)C=C(O2)C(=O)NCC(C3=CC=CS3)[NH+]4CCCC4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=O)C=C(O2)C(=O)NC[C@@H](C3=CC=CS3)[NH+]4CCCC4)C

InChI

InChI=1S/C22H24N2O3S/c1-14-10-16-18(25)12-20(27-19(16)11-15(14)2)22(26)23-13-17(21-6-5-9-28-21)24-7-3-4-8-24/h5-6,9-12,17H,3-4,7-8,13H2,1-2H3,(H,23,26)/p+1/t17-/m0/s1