N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-4-oxidanylidene-chromene-3-carboxamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-4-oxidanylidene-chromene-3-carboxamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-4-oxo-chromene-3-carboxamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-4-oxo-1-benzopyran-3-carboxamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-4-oxochromene-3-carboxamide Traditional Name: 4-keto-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]chromene-3-carboxamide Formula: C24H27N2O4+ MolecularWeight: 407.48218

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=COC3=CC=CC=C3C2=O)[NH+]4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=COC3=CC=CC=C3C2=O)[NH+]4CCCCC4

InChI

InChI=1S/C24H26N2O4/c1-29-18-11-9-17(10-12-18)21(26-13-5-2-6-14-26)15-25-24(28)20-16-30-22-8-4-3-7-19(22)23(20)27/h3-4,7-12,16,21H,2,5-6,13-15H2,1H3,(H,25,28)/p+1/t21-/m0/s1