[(3S,4S)-4-oxidanyl-1-(phenylmethyl)-4-thiophen-2-yl-piperidin-1-ium-3-yl]-thiophen-2-yl-methanone

Systemtic Name: [(3S,4S)-4-oxidanyl-1-(phenylmethyl)-4-thiophen-2-yl-piperidin-1-ium-3-yl]-thiophen-2-yl-methanone Openeye Name: [(3S,4S)-1-benzyl-4-hydroxy-4-(2-thienyl)piperidin-1-ium-3-yl]-(2-thienyl)methanone CAS Name: [(3S,4S)-4-hydroxy-1-(phenylmethyl)-4-thiophen-2-yl-3-piperidin-1-iumyl]-thiophen-2-ylmethanone IUPAC Name: [(3S,4S)-1-benzyl-4-hydroxy-4-thiophen-2-ylpiperidin-1-ium-3-yl]-thiophen-2-ylmethanone Traditional Name: [(3S,4S)-1-benzyl-4-hydroxy-4-(2-thienyl)piperidin-1-ium-3-yl]-(2-thienyl)methanone Formula: C21H22NO2S2+ MolecularWeight: 384.53488

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(C1(C2=CC=CS2)O)C(=O)C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@@H]([C@@]1(C2=CC=CS2)O)C(=O)C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C21H21NO2S2/c23-20(18-8-4-12-25-18)17-15-22(14-16-6-2-1-3-7-16)11-10-21(17,24)19-9-5-13-26-19/h1-9,12-13,17,24H,10-11,14-15H2/p+1/t17-,21+/m1/s1