2-(3-methylphenyl)-1-[4-(4-morpholin-4-ylcarbonylpiperidin-1-ium-1-yl)piperidin-1-yl]ethanone

Systemtic Name: 2-(3-methylphenyl)-1-[4-(4-morpholin-4-ylcarbonylpiperidin-1-ium-1-yl)piperidin-1-yl]ethanone Openeye Name: 1-[4-[4-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]-1-piperidyl]-2-(m-tolyl)ethanone CAS Name: 2-(3-methylphenyl)-1-[4-[4-[4-morpholinyl(oxo)methyl]-1-piperidin-1-iumyl]-1-piperidinyl]ethanone IUPAC Name: 2-(3-methylphenyl)-1-[4-[4-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]piperidin-1-yl]ethanone Traditional Name: 1-[4-[4-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]piperidino]-2-(m-tolyl)ethanone Formula: C24H36N3O3+ MolecularWeight: 414.56094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC(=O)N2CCC(CC2)[NH+]3CCC(CC3)C(=O)N4CCOCC4

Isomeric SMILES

CC1=CC(=CC=C1)CC(=O)N2CCC(CC2)[NH+]3CCC(CC3)C(=O)N4CCOCC4

InChI

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