[(3S)-1-[(3-fluorophenyl)methyl]piperidin-1-ium-3-yl]-(3-methylthiophen-2-yl)methanone

Systemtic Name: [(3S)-1-[(3-fluorophenyl)methyl]piperidin-1-ium-3-yl]-(3-methylthiophen-2-yl)methanone Openeye Name: [(3S)-1-[(3-fluorophenyl)methyl]piperidin-1-ium-3-yl]-(3-methyl-2-thienyl)methanone CAS Name: [(3S)-1-[(3-fluorophenyl)methyl]-3-piperidin-1-iumyl]-(3-methyl-2-thiophenyl)methanone IUPAC Name: [(3S)-1-[(3-fluorophenyl)methyl]piperidin-1-ium-3-yl]-(3-methylthiophen-2-yl)methanone Traditional Name: [(3S)-1-(3-fluorobenzyl)piperidin-1-ium-3-yl]-(3-methyl-2-thienyl)methanone Formula: C18H21FNOS+ MolecularWeight: 318.428843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)C2CCC[NH+](C2)CC3=CC(=CC=C3)F

Isomeric SMILES

CC1=C(SC=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=CC(=CC=C3)F

InChI

InChI=1S/C18H20FNOS/c1-13-7-9-22-18(13)17(21)15-5-3-8-20(12-15)11-14-4-2-6-16(19)10-14/h2,4,6-7,9-10,15H,3,5,8,11-12H2,1H3/p+1/t15-/m0/s1