1-[4-[[(3S)-3-(6-methoxynaphthalen-2-yl)carbonylpiperidin-1-ium-1-yl]methyl]thiophen-2-yl]ethanone

Systemtic Name: 1-[4-[[(3S)-3-(6-methoxynaphthalen-2-yl)carbonylpiperidin-1-ium-1-yl]methyl]thiophen-2-yl]ethanone Openeye Name: 1-[4-[[(3S)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-ium-1-yl]methyl]-2-thienyl]ethanone CAS Name: 1-[4-[[(3S)-3-[(6-methoxy-2-naphthalenyl)-oxomethyl]-1-piperidin-1-iumyl]methyl]-2-thiophenyl]ethanone IUPAC Name: 1-[4-[[(3S)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-ium-1-yl]methyl]thiophen-2-yl]ethanone Traditional Name: 1-[4-[[(3S)-3-(6-methoxy-2-naphthoyl)piperidin-1-ium-1-yl]methyl]-2-thienyl]ethanone Formula: C24H26NO3S+ MolecularWeight: 408.53314

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CS1)C[NH+]2CCCC(C2)C(=O)C3=CC4=C(C=C3)C=C(C=C4)OC

Isomeric SMILES

CC(=O)C1=CC(=CS1)C[NH+]2CCC[C@@H](C2)C(=O)C3=CC4=C(C=C3)C=C(C=C4)OC

InChI

InChI=1S/C24H25NO3S/c1-16(26)23-10-17(15-29-23)13-25-9-3-4-21(14-25)24(27)20-6-5-19-12-22(28-2)8-7-18(19)11-20/h5-8,10-12,15,21H,3-4,9,13-14H2,1-2H3/p+1/t21-/m0/s1