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

Systemtic Name: N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ium-1-yl-ethyl]-4-oxidanylidene-chromene-2-carboxamide Openeye Name: 4-oxo-N-[(2R)-2-piperidin-1-ium-1-yl-2-(p-tolyl)ethyl]chromene-2-carboxamide CAS Name: N-[(2R)-2-(4-methylphenyl)-2-(1-piperidin-1-iumyl)ethyl]-4-oxo-1-benzopyran-2-carboxamide IUPAC Name: N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ium-1-ylethyl]-4-oxochromene-2-carboxamide Traditional Name: 4-keto-N-[(2R)-2-piperidin-1-ium-1-yl-2-(p-tolyl)ethyl]chromene-2-carboxamide Formula: C24H27N2O3+ MolecularWeight: 391.48278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNC(=O)C2=CC(=O)C3=CC=CC=C3O2)[NH+]4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC(=O)C3=CC=CC=C3O2)[NH+]4CCCCC4

InChI

InChI=1S/C24H26N2O3/c1-17-9-11-18(12-10-17)20(26-13-5-2-6-14-26)16-25-24(28)23-15-21(27)19-7-3-4-8-22(19)29-23/h3-4,7-12,15,20H,2,5-6,13-14,16H2,1H3,(H,25,28)/p+1/t20-/m0/s1