1-[3-[[4-(4-morpholin-4-ylcarbonylpiperidin-1-ium-1-yl)piperidin-1-ium-1-yl]methyl]phenyl]ethanone

Systemtic Name: 1-[3-[[4-(4-morpholin-4-ylcarbonylpiperidin-1-ium-1-yl)piperidin-1-ium-1-yl]methyl]phenyl]ethanone Openeye Name: 1-[3-[[4-[4-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]piperidin-1-ium-1-yl]methyl]phenyl]ethanone CAS Name: 1-[3-[[4-[4-[4-morpholinyl(oxo)methyl]-1-piperidin-1-iumyl]-1-piperidin-1-iumyl]methyl]phenyl]ethanone IUPAC Name: 1-[3-[[4-[4-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]piperidin-1-ium-1-yl]methyl]phenyl]ethanone Traditional Name: 1-[3-[[4-[4-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]piperidin-1-ium-1-yl]methyl]phenyl]ethanone Formula: C24H37N3O3+2 MolecularWeight: 415.56888

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)C[NH+]2CCC(CC2)[NH+]3CCC(CC3)C(=O)N4CCOCC4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)C[NH+]2CCC(CC2)[NH+]3CCC(CC3)C(=O)N4CCOCC4

InChI

InChI=1S/C24H35N3O3/c1-19(28)22-4-2-3-20(17-22)18-25-9-7-23(8-10-25)26-11-5-21(6-12-26)24(29)27-13-15-30-16-14-27/h2-4,17,21,23H,5-16,18H2,1H3/p+2