N-[(3-fluoranyl-4-methyl-phenyl)methyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(3-fluoranyl-4-methyl-phenyl)methyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(3-fluoro-4-methyl-phenyl)methyl]-2-[4-(2-thienylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(3-fluoro-4-methylphenyl)methyl]-2-[4-(thiophen-2-ylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(3-fluoro-4-methylphenyl)methyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-fluoro-4-methyl-benzyl)-2-[4-(2-thenyl)piperazin-1-ium-1-yl]acetamide Formula: C19H25FN3OS+ MolecularWeight: 362.484703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)C[NH+]2CCN(CC2)CC3=CC=CS3)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)C[NH+]2CCN(CC2)CC3=CC=CS3)F

InChI

InChI=1S/C19H24FN3OS/c1-15-4-5-16(11-18(15)20)12-21-19(24)14-23-8-6-22(7-9-23)13-17-3-2-10-25-17/h2-5,10-11H,6-9,12-14H2,1H3,(H,21,24)/p+1