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

Systemtic Name: 1-[4-[[(3S)-3-(3-propan-2-yloxyphenyl)carbonylpiperidin-1-ium-1-yl]methyl]thiophen-2-yl]ethanone Openeye Name: 1-[4-[[(3S)-3-(3-isopropoxybenzoyl)piperidin-1-ium-1-yl]methyl]-2-thienyl]ethanone CAS Name: 1-[4-[[(3S)-3-[oxo-(3-propan-2-yloxyphenyl)methyl]-1-piperidin-1-iumyl]methyl]-2-thiophenyl]ethanone IUPAC Name: 1-[4-[[(3S)-3-(3-propan-2-yloxybenzoyl)piperidin-1-ium-1-yl]methyl]thiophen-2-yl]ethanone Traditional Name: 1-[4-[[(3S)-3-(3-isopropoxybenzoyl)piperidin-1-ium-1-yl]methyl]-2-thienyl]ethanone Formula: C22H28NO3S+ MolecularWeight: 386.52762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)C2CCC[NH+](C2)CC3=CSC(=C3)C(=O)C

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=CSC(=C3)C(=O)C

InChI

InChI=1S/C22H27NO3S/c1-15(2)26-20-8-4-6-18(11-20)22(25)19-7-5-9-23(13-19)12-17-10-21(16(3)24)27-14-17/h4,6,8,10-11,14-15,19H,5,7,9,12-13H2,1-3H3/p+1/t19-/m0/s1