1-[3-[[(3S)-3-(4-methoxy-3,5-dimethyl-phenyl)carbonylpiperidin-1-ium-1-yl]methyl]phenyl]ethanone

Systemtic Name: 1-[3-[[(3S)-3-(4-methoxy-3,5-dimethyl-phenyl)carbonylpiperidin-1-ium-1-yl]methyl]phenyl]ethanone Openeye Name: 1-[3-[[(3S)-3-(4-methoxy-3,5-dimethyl-benzoyl)piperidin-1-ium-1-yl]methyl]phenyl]ethanone CAS Name: 1-[3-[[(3S)-3-[(4-methoxy-3,5-dimethylphenyl)-oxomethyl]-1-piperidin-1-iumyl]methyl]phenyl]ethanone IUPAC Name: 1-[3-[[(3S)-3-(4-methoxy-3,5-dimethylbenzoyl)piperidin-1-ium-1-yl]methyl]phenyl]ethanone Traditional Name: 1-[3-[[(3S)-3-(4-methoxy-3,5-dimethyl-benzoyl)piperidin-1-ium-1-yl]methyl]phenyl]ethanone Formula: C24H30NO3+ MolecularWeight: 380.4999

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC)C)C(=O)C2CCC[NH+](C2)CC3=CC=CC(=C3)C(=O)C

Isomeric SMILES

CC1=CC(=CC(=C1OC)C)C(=O)[C@H]2CCC[NH+](C2)CC3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C24H29NO3/c1-16-11-22(12-17(2)24(16)28-4)23(27)21-9-6-10-25(15-21)14-19-7-5-8-20(13-19)18(3)26/h5,7-8,11-13,21H,6,9-10,14-15H2,1-4H3/p+1/t21-/m0/s1