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

Systemtic Name: 6-chloranyl-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ium-1-yl-ethyl]-4-oxidanylidene-chromene-2-carboxamide Openeye Name: 6-chloro-4-oxo-N-[(2R)-2-piperidin-1-ium-1-yl-2-(p-tolyl)ethyl]chromene-2-carboxamide CAS Name: 6-chloro-N-[(2R)-2-(4-methylphenyl)-2-(1-piperidin-1-iumyl)ethyl]-4-oxo-1-benzopyran-2-carboxamide IUPAC Name: 6-chloro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ium-1-ylethyl]-4-oxochromene-2-carboxamide Traditional Name: 6-chloro-4-keto-N-[(2R)-2-piperidin-1-ium-1-yl-2-(p-tolyl)ethyl]chromene-2-carboxamide Formula: C24H26ClN2O3+ MolecularWeight: 425.92784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25ClN2O3/c1-16-5-7-17(8-6-16)20(27-11-3-2-4-12-27)15-26-24(29)23-14-21(28)19-13-18(25)9-10-22(19)30-23/h5-10,13-14,20H,2-4,11-12,15H2,1H3,(H,26,29)/p+1/t20-/m0/s1