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

Systemtic Name: N-[6-chloranyl-3-(4-methylphenyl)-4-oxidanylidene-chromen-2-yl]-2-(4-methylpiperidin-1-ium-1-yl)ethanamide Openeye Name: N-[6-chloro-4-oxo-3-(p-tolyl)chromen-2-yl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide CAS Name: N-[6-chloro-3-(4-methylphenyl)-4-oxo-1-benzopyran-2-yl]-2-(4-methyl-1-piperidin-1-iumyl)acetamide IUPAC Name: N-[6-chloro-3-(4-methylphenyl)-4-oxochromen-2-yl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide Traditional Name: N-[6-chloro-4-keto-3-(p-tolyl)chromen-2-yl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide Formula: C24H26ClN2O3+ MolecularWeight: 425.92784

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(=O)NC2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)C4=CC=C(C=C4)C

Isomeric SMILES

CC1CC[NH+](CC1)CC(=O)NC2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)C4=CC=C(C=C4)C

InChI

InChI=1S/C24H25ClN2O3/c1-15-3-5-17(6-4-15)22-23(29)19-13-18(25)7-8-20(19)30-24(22)26-21(28)14-27-11-9-16(2)10-12-27/h3-8,13,16H,9-12,14H2,1-2H3,(H,26,28)/p+1