1-[4-[[(3S)-3-(4-methoxy-3,5-dimethyl-phenyl)carbonylpiperidin-1-ium-1-yl]methyl]thiophen-2-yl]ethanone

Systemtic Name: 1-[4-[[(3S)-3-(4-methoxy-3,5-dimethyl-phenyl)carbonylpiperidin-1-ium-1-yl]methyl]thiophen-2-yl]ethanone Openeye Name: 1-[4-[[(3S)-3-(4-methoxy-3,5-dimethyl-benzoyl)piperidin-1-ium-1-yl]methyl]-2-thienyl]ethanone CAS Name: 1-[4-[[(3S)-3-[(4-methoxy-3,5-dimethylphenyl)-oxomethyl]-1-piperidin-1-iumyl]methyl]-2-thiophenyl]ethanone IUPAC Name: 1-[4-[[(3S)-3-(4-methoxy-3,5-dimethylbenzoyl)piperidin-1-ium-1-yl]methyl]thiophen-2-yl]ethanone Traditional Name: 1-[4-[[(3S)-3-(4-methoxy-3,5-dimethyl-benzoyl)piperidin-1-ium-1-yl]methyl]-2-thienyl]ethanone Formula: C22H28NO3S+ MolecularWeight: 386.52762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO3S/c1-14-8-19(9-15(2)22(14)26-4)21(25)18-6-5-7-23(12-18)11-17-10-20(16(3)24)27-13-17/h8-10,13,18H,5-7,11-12H2,1-4H3/p+1/t18-/m0/s1