2-[4-(2,4-dimethylphenyl)carbonylpiperidin-1-ium-1-yl]-1-[(2S)-2-methylmorpholin-4-yl]ethanone

Systemtic Name: 2-[4-(2,4-dimethylphenyl)carbonylpiperidin-1-ium-1-yl]-1-[(2S)-2-methylmorpholin-4-yl]ethanone Openeye Name: 2-[4-(2,4-dimethylbenzoyl)piperidin-1-ium-1-yl]-1-[(2S)-2-methylmorpholin-4-yl]ethanone CAS Name: 2-[4-[(2,4-dimethylphenyl)-oxomethyl]-1-piperidin-1-iumyl]-1-[(2S)-2-methyl-4-morpholinyl]ethanone IUPAC Name: 2-[4-(2,4-dimethylbenzoyl)piperidin-1-ium-1-yl]-1-[(2S)-2-methylmorpholin-4-yl]ethanone Traditional Name: 2-[4-(2,4-dimethylbenzoyl)piperidin-1-ium-1-yl]-1-[(2S)-2-methylmorpholino]ethanone Formula: C21H31N2O3+ MolecularWeight: 359.48244

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCO1)C(=O)C[NH+]2CCC(CC2)C(=O)C3=C(C=C(C=C3)C)C

Isomeric SMILES

C[C@H]1CN(CCO1)C(=O)C[NH+]2CCC(CC2)C(=O)C3=C(C=C(C=C3)C)C

InChI

InChI=1S/C21H30N2O3/c1-15-4-5-19(16(2)12-15)21(25)18-6-8-22(9-7-18)14-20(24)23-10-11-26-17(3)13-23/h4-5,12,17-18H,6-11,13-14H2,1-3H3/p+1/t17-/m0/s1