N-[6-chloranyl-3-(4-methylphenyl)-4-oxidanylidene-chromen-2-yl]-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-[6-chloranyl-3-(4-methylphenyl)-4-oxidanylidene-chromen-2-yl]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-[6-chloro-4-oxo-3-(p-tolyl)chromen-2-yl]-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[6-chloro-3-(4-methylphenyl)-4-oxo-1-benzopyran-2-yl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-[6-chloro-3-(4-methylphenyl)-4-oxochromen-2-yl]-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-[6-chloro-4-keto-3-(p-tolyl)chromen-2-yl]-2-piperidin-1-ium-1-yl-acetamide Formula: C23H24ClN2O3+ MolecularWeight: 411.90126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(OC3=C(C2=O)C=C(C=C3)Cl)NC(=O)C[NH+]4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(OC3=C(C2=O)C=C(C=C3)Cl)NC(=O)C[NH+]4CCCCC4

InChI

InChI=1S/C23H23ClN2O3/c1-15-5-7-16(8-6-15)21-22(28)18-13-17(24)9-10-19(18)29-23(21)25-20(27)14-26-11-3-2-4-12-26/h5-10,13H,2-4,11-12,14H2,1H3,(H,25,27)/p+1