[(3S)-1-(1-benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]-(3-methylthiophen-2-yl)methanone

Systemtic Name: [(3S)-1-(1-benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]-(3-methylthiophen-2-yl)methanone Openeye Name: [(3S)-1-(benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]-(3-methyl-2-thienyl)methanone CAS Name: [(3S)-1-(2-benzofuranylmethyl)-3-piperidin-1-iumyl]-(3-methyl-2-thiophenyl)methanone IUPAC Name: [(3S)-1-(1-benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]-(3-methylthiophen-2-yl)methanone Traditional Name: [(3S)-1-(benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]-(3-methyl-2-thienyl)methanone Formula: C20H22NO2S+ MolecularWeight: 340.45918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)C2CCC[NH+](C2)CC3=CC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(SC=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=CC4=CC=CC=C4O3

InChI

InChI=1S/C20H21NO2S/c1-14-8-10-24-20(14)19(22)16-6-4-9-21(12-16)13-17-11-15-5-2-3-7-18(15)23-17/h2-3,5,7-8,10-11,16H,4,6,9,12-13H2,1H3/p+1/t16-/m0/s1