3-(1-methylpiperidin-1-ium-1-yl)-N-(9H-xanthen-9-yl)butanamide bromide

Systemtic Name: 3-(1-methylpiperidin-1-ium-1-yl)-N-(9H-xanthen-9-yl)butanamide bromide Openeye Name: 3-(1-methylpiperidin-1-ium-1-yl)-N-(9H-xanthen-9-yl)butanamide bromide CAS Name: 3-(1-methyl-1-piperidin-1-iumyl)-N-(9H-xanthen-9-yl)butanamide bromide IUPAC Name: 3-(1-methylpiperidin-1-ium-1-yl)-N-(9H-xanthen-9-yl)butanamide bromide Traditional Name: 3-(1-methylpiperidin-1-ium-1-yl)-N-(9H-xanthen-9-yl)butyramide bromide Formula: C23H29BrN2O2 MolecularWeight: 445.39256

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1C2=CC=CC=C2OC3=CC=CC=C13)[N+]4(CCCCC4)C.[Br-]

Isomeric SMILES

CC(CC(=O)NC1C2=CC=CC=C2OC3=CC=CC=C13)[N+]4(CCCCC4)C.[Br-]

InChI

InChI=1S/C23H28N2O2.BrH/c1-17(25(2)14-8-3-9-15-25)16-22(26)24-23-18-10-4-6-12-20(18)27-21-13-7-5-11-19(21)23;/h4-7,10-13,17,23H,3,8-9,14-16H2,1-2H3;1H