6-ethyl-4-oxidanylidene-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]chromene-2-carboxamide

Systemtic Name: 6-ethyl-4-oxidanylidene-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]chromene-2-carboxamide Openeye Name: 6-ethyl-4-oxo-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]chromene-2-carboxamide CAS Name: 6-ethyl-4-oxo-N-[(2R)-2-phenyl-2-(1-piperidin-1-iumyl)ethyl]-1-benzopyran-2-carboxamide IUPAC Name: 6-ethyl-4-oxo-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-ylethyl]chromene-2-carboxamide Traditional Name: 6-ethyl-4-keto-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]chromene-2-carboxamide Formula: C25H29N2O3+ MolecularWeight: 405.50936

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=CC2=O)C(=O)NCC(C3=CC=CC=C3)[NH+]4CCCCC4

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=CC2=O)C(=O)NC[C@@H](C3=CC=CC=C3)[NH+]4CCCCC4

InChI

InChI=1S/C25H28N2O3/c1-2-18-11-12-23-20(15-18)22(28)16-24(30-23)25(29)26-17-21(19-9-5-3-6-10-19)27-13-7-4-8-14-27/h3,5-6,9-12,15-16,21H,2,4,7-8,13-14,17H2,1H3,(H,26,29)/p+1/t21-/m0/s1