1-[3-[[(3S)-3-(2,4-dimethoxyphenyl)carbonylpiperidin-1-ium-1-yl]methyl]phenyl]ethanone

Systemtic Name: 1-[3-[[(3S)-3-(2,4-dimethoxyphenyl)carbonylpiperidin-1-ium-1-yl]methyl]phenyl]ethanone Openeye Name: 1-[3-[[(3S)-3-(2,4-dimethoxybenzoyl)piperidin-1-ium-1-yl]methyl]phenyl]ethanone CAS Name: 1-[3-[[(3S)-3-[(2,4-dimethoxyphenyl)-oxomethyl]-1-piperidin-1-iumyl]methyl]phenyl]ethanone IUPAC Name: 1-[3-[[(3S)-3-(2,4-dimethoxybenzoyl)piperidin-1-ium-1-yl]methyl]phenyl]ethanone Traditional Name: 1-[3-[[(3S)-3-(2,4-dimethoxybenzoyl)piperidin-1-ium-1-yl]methyl]phenyl]ethanone Formula: C23H28NO4+ MolecularWeight: 382.47272

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)C[NH+]2CCCC(C2)C(=O)C3=C(C=C(C=C3)OC)OC

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)C[NH+]2CCC[C@@H](C2)C(=O)C3=C(C=C(C=C3)OC)OC

InChI

InChI=1S/C23H27NO4/c1-16(25)18-7-4-6-17(12-18)14-24-11-5-8-19(15-24)23(26)21-10-9-20(27-2)13-22(21)28-3/h4,6-7,9-10,12-13,19H,5,8,11,14-15H2,1-3H3/p+1/t19-/m0/s1