7,8-dimethyl-4-oxidanylidene-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]chromene-2-carboxamide

Systemtic Name: 7,8-dimethyl-4-oxidanylidene-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]chromene-2-carboxamide Openeye Name: 7,8-dimethyl-4-oxo-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]chromene-2-carboxamide CAS Name: 7,8-dimethyl-4-oxo-N-[(2R)-2-phenyl-2-(1-piperidin-1-iumyl)ethyl]-1-benzopyran-2-carboxamide IUPAC Name: 7,8-dimethyl-4-oxo-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-ylethyl]chromene-2-carboxamide Traditional Name: 4-keto-7,8-dimethyl-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:

CC1=C(C2=C(C=C1)C(=O)C=C(O2)C(=O)NCC(C3=CC=CC=C3)[NH+]4CCCCC4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=O)C=C(O2)C(=O)NC[C@@H](C3=CC=CC=C3)[NH+]4CCCCC4)C

InChI

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