N-(4-fluoranyl-2-methyl-phenyl)-3-[(3R)-1-(thiophen-2-ylmethyl)piperidin-1-ium-3-yl]propanamide

Systemtic Name: N-(4-fluoranyl-2-methyl-phenyl)-3-[(3R)-1-(thiophen-2-ylmethyl)piperidin-1-ium-3-yl]propanamide Openeye Name: N-(4-fluoro-2-methyl-phenyl)-3-[(3R)-1-(2-thienylmethyl)piperidin-1-ium-3-yl]propanamide CAS Name: N-(4-fluoro-2-methylphenyl)-3-[(3R)-1-(thiophen-2-ylmethyl)-3-piperidin-1-iumyl]propanamide IUPAC Name: N-(4-fluoro-2-methylphenyl)-3-[(3R)-1-(thiophen-2-ylmethyl)piperidin-1-ium-3-yl]propanamide Traditional Name: N-(4-fluoro-2-methyl-phenyl)-3-[(3R)-1-(2-thenyl)piperidin-1-ium-3-yl]propionamide Formula: C20H26FN2OS+ MolecularWeight: 361.496643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)NC(=O)CCC2CCC[NH+](C2)CC3=CC=CS3

Isomeric SMILES

CC1=C(C=CC(=C1)F)NC(=O)CC[C@H]2CCC[NH+](C2)CC3=CC=CS3

InChI

InChI=1S/C20H25FN2OS/c1-15-12-17(21)7-8-19(15)22-20(24)9-6-16-4-2-10-23(13-16)14-18-5-3-11-25-18/h3,5,7-8,11-12,16H,2,4,6,9-10,13-14H2,1H3,(H,22,24)/p+1/t16-/m1/s1