2-oxidanylidene-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]chromene-3-carboxamide

Systemtic Name: 2-oxidanylidene-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]chromene-3-carboxamide Openeye Name: 2-oxo-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]chromene-3-carboxamide CAS Name: 2-oxo-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-1-benzopyran-3-carboxamide IUPAC Name: 2-oxo-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]chromene-3-carboxamide Traditional Name: 2-keto-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]chromene-3-carboxamide Formula: C23H25N2O3+ MolecularWeight: 377.4562

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCC2=CC=CC=C2)NC(=O)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCC2=CC=CC=C2)NC(=O)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C23H24N2O3/c26-22(20-15-18-9-4-5-11-21(18)28-23(20)27)24-19-10-6-13-25(16-19)14-12-17-7-2-1-3-8-17/h1-5,7-9,11,15,19H,6,10,12-14,16H2,(H,24,26)/p+1/t19-/m0/s1