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

Systemtic Name: 1-[4-[[(3R)-3-(3,4-dimethoxyphenyl)carbonylpiperidin-1-ium-1-yl]methyl]thiophen-2-yl]ethanone Openeye Name: 1-[4-[[(3R)-3-(3,4-dimethoxybenzoyl)piperidin-1-ium-1-yl]methyl]-2-thienyl]ethanone CAS Name: 1-[4-[[(3R)-3-[(3,4-dimethoxyphenyl)-oxomethyl]-1-piperidin-1-iumyl]methyl]-2-thiophenyl]ethanone IUPAC Name: 1-[4-[[(3R)-3-(3,4-dimethoxybenzoyl)piperidin-1-ium-1-yl]methyl]thiophen-2-yl]ethanone Traditional Name: 1-[4-[[(3R)-3-veratroylpiperidin-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=CC(=C(C=C3)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO4S/c1-14(23)20-9-15(13-27-20)11-22-8-4-5-17(12-22)21(24)16-6-7-18(25-2)19(10-16)26-3/h6-7,9-10,13,17H,4-5,8,11-12H2,1-3H3/p+1/t17-/m1/s1