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

Systemtic Name: 1-[4-[[(3S)-3-(2,4-dimethoxyphenyl)carbonylpiperidin-1-ium-1-yl]methyl]thiophen-2-yl]ethanone Openeye Name: 1-[4-[[(3S)-3-(2,4-dimethoxybenzoyl)piperidin-1-ium-1-yl]methyl]-2-thienyl]ethanone CAS Name: 1-[4-[[(3S)-3-[(2,4-dimethoxyphenyl)-oxomethyl]-1-piperidin-1-iumyl]methyl]-2-thiophenyl]ethanone IUPAC Name: 1-[4-[[(3S)-3-(2,4-dimethoxybenzoyl)piperidin-1-ium-1-yl]methyl]thiophen-2-yl]ethanone Traditional Name: 1-[4-[[(3S)-3-(2,4-dimethoxybenzoyl)piperidin-1-ium-1-yl]methyl]-2-thienyl]ethanone Formula: C21H26NO4S+ MolecularWeight: 388.50044

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CS1)C[NH+]2CCCC(C2)C(=O)C3=C(C=C(C=C3)OC)OC

Isomeric SMILES

CC(=O)C1=CC(=CS1)C[NH+]2CCC[C@@H](C2)C(=O)C3=C(C=C(C=C3)OC)OC

InChI

InChI=1S/C21H25NO4S/c1-14(23)20-9-15(13-27-20)11-22-8-4-5-16(12-22)21(24)18-7-6-17(25-2)10-19(18)26-3/h6-7,9-10,13,16H,4-5,8,11-12H2,1-3H3/p+1/t16-/m0/s1